CID 84618995

1780270-04-3

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)N=C1N
InChI
InChI=1S/C9H9N3O2/c1-12-7-4-5(8(13)14)2-3-6(7)11-9(12)10/h2-4H,1H3,(H2,10,11)(H,13,14)
InChIKey
VBZHWXCSPQDIEK-UHFFFAOYSA-N
Compound name
2-amino-3-methylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.3
[M+Na]+ 214.05869 150.3
[M+NH4]+ 209.10329 145.3
[M+K]+ 230.03263 147.7
[M-H]- 190.06219 138.6
[M+Na-2H]- 212.04414 143.1
[M]+ 191.06892 139.8
[M]- 191.07002 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.