CID 19002737

2-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl)acetic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC2=C(C=C1CC(=O)O)NC(=O)N2
InChI
InChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKey
OAFRCZCYWOFYGI-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.2
[M+Na]+ 215.042718 147.6
[M-H]- 191.046224 136.1
[M+NH4]+ 210.087323 155.0
[M+K]+ 231.016658 142.9
[M+H-H2O]+ 175.050760 131.1
[M+HCOO]- 237.051701 156.7
[M+CH3COO]- 251.067351 174.1
[M+Na-2H]- 213.028166 142.9
[M]+ 192.05295142 136.6
[M]- 192.05404858 136.6
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