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

9
Patents

192.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.2
[M+Na]+ 215.04272 147.6
[M-H]- 191.04622 136.1
[M+NH4]+ 210.08732 155.0
[M+K]+ 231.01666 142.9
[M+H-H2O]+ 175.05076 131.1
[M+HCOO]- 237.05170 156.7
[M+CH3COO]- 251.06735 174.1
[M+Na-2H]- 213.02817 142.9
[M]+ 192.05295 136.6
[M]- 192.05405 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