CID 10845408

2-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl)acetic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC=C2C(=C1)NC(=O)N2CC(=O)O
InChI
InChI=1S/C9H8N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)10-9(11)14/h1-4H,5H2,(H,10,14)(H,12,13)
InChIKey
XGCKXFIEBXHNRH-UHFFFAOYSA-N
Compound name
2-(2-oxo-3H-benzimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 136.5
[M+Na]+ 215.04272 147.4
[M-H]- 191.04622 136.8
[M+NH4]+ 210.08732 155.1
[M+K]+ 231.01666 143.5
[M+H-H2O]+ 175.05076 130.2
[M+HCOO]- 237.05170 157.5
[M+CH3COO]- 251.06735 176.5
[M+Na-2H]- 213.02817 142.8
[M]+ 192.05295 137.8
[M]- 192.05405 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe