Ketcher 06051716332D 1   1.00000     0.00000     0

 11 12  0     0  0            999 V2000
    7.0887   -3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0887   -4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -5.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208   -4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208   -3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -3.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7719   -3.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3596   -4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7719   -5.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0809   -2.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590   -2.5058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  4  9  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  7 10  1  0     0  0
  8  9  1  0     0  0
 10 11  1  0     0  0
M  CHG  1  11   1
M  END
> <ID>
CHEBI:136514

> <NAME>
indol-3-ylmethylamine(1+)

> <DEFINITION>
A primary ammonium ion obtained by protonation of the primary amino function of indol-3-ylmethylamine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
3-(ammoniomethyl)indole; 3-(aminomethyl)indole

> <IUPAC_NAME>
(1H-indol-3-yl)methanaminium

> <FORMULA>
C9H11N2

> <MASS>
147.197

> <MONOISOTOPIC_MASS>
147.09167

> <CHARGE>
1

> <SMILES>
C1=CC=C2C(=C1)C(=CN2)C[NH3+]

> <INCHI>
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2/p+1

> <INCHIKEY>
JXYGLMATGAAIBU-UHFFFAOYSA-O

> <METACYC_ACCESSION>
CPD-8913

$$$$