CID 13364061

2-amino-1h-1,3-benzodiazole-5-carboxylic acid

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

249
Patents

177.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.6
[M+Na]+ 200.043048 143.9
[M-H]- 176.046554 133.6
[M+NH4]+ 195.087653 152.3
[M+K]+ 216.016988 139.9
[M+H-H2O]+ 160.051090 127.2
[M+HCOO]- 222.052031 155.1
[M+CH3COO]- 236.067681 176.6
[M+Na-2H]- 198.028496 139.9
[M]+ 177.05328142 132.1
[M]- 177.05437858 132.1
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