CID 83415851

945024-80-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN1C2=C(C=CC=C2N=C1N)C(=O)O
InChI
InChI=1S/C9H9N3O2/c1-12-7-5(8(13)14)3-2-4-6(7)11-9(12)10/h2-4H,1H3,(H2,10,11)(H,13,14)
InChIKey
JQFWVOTZGCQLBT-UHFFFAOYSA-N
Compound name
2-amino-3-methylbenzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.1
[M+Na]+ 214.058688 149.3
[M-H]- 190.062194 139.7
[M+NH4]+ 209.103293 157.2
[M+K]+ 230.032628 145.9
[M+H-H2O]+ 174.066730 131.6
[M+HCOO]- 236.067671 160.7
[M+CH3COO]- 250.083321 183.2
[M+Na-2H]- 212.044136 143.5
[M]+ 191.06892142 139.2
[M]- 191.07001858 139.2
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.