CID 13364061

76391-97-4

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=N2)N
InChI
InChI=1S/C8H7N3O2/c9-8-10-5-2-1-4(7(12)13)3-6(5)11-8/h1-3H,(H,12,13)(H3,9,10,11)
InChIKey
QNBMELTXPLGIMF-UHFFFAOYSA-N
Compound name
2-amino-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

177.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 134.0
[M+Na]+ 200.04305 145.3
[M+NH4]+ 195.08765 140.8
[M+K]+ 216.01699 143.1
[M-H]- 176.04655 133.8
[M+Na-2H]- 198.02850 138.7
[M]+ 177.05328 135.1
[M]- 177.05438 135.1
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

patents stripe