Ketcher 09111910502D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    6.5586   -9.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7547   -9.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8887  -10.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0226   -9.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246  -10.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565  -10.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907   -9.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4244  -11.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565  -11.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2905  -11.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  5  8  2  0     0  0
  6  7  2  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
  9 10  2  0     0  0
M  CHG  1   2   1
M  END
> <ID>
CHEBI:144800

> <NAME>
m-tyraminium

> <DEFINITION>
An ammonium ion that is the conjugate acid of m-tyramine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
meta-tyraminium; 3-tyramine

> <IUPAC_NAME>
2-(3-hydroxyphenyl)ethanaminium

> <FORMULA>
C8H12NO

> <MASS>
138.189

> <MONOISOTOPIC_MASS>
138.09134

> <CHARGE>
1

> <SMILES>
OC=1C=C(CC[NH3+])C=CC1

> <INCHI>
InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2/p+1

> <INCHIKEY>
GHFGJTVYMNRGBY-UHFFFAOYSA-O

> <PUBMED_CITATION>
31196984

$$$$