CDK     1030232200

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7144    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  7  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:206808

> <NAME>
2-(1-hydroxy-1-methylethyl)-3-methoxypyrazine

> <STAR>
2

> <IUPAC_NAME>
2-(3-methoxypyrazin-2-yl)propan-2-ol

> <FORMULA>
C8H12N2O2

> <MASS>
168.196

> <MONOISOTOPIC_MASS>
168.08988

> <CHARGE>
0

> <SMILES>
O(C1=NC=CN=C1C(O)(C)C)C

> <INCHI>
InChI=1S/C8H12N2O2/c1-8(2,11)6-7(12-3)10-5-4-9-6/h4-5,11H,1-3H3

> <INCHIKEY>
YBXACVMNCAABPZ-UHFFFAOYSA-N

$$$$