CID 82784248

3-cyclopropyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1CC1N2C3=C(C=CC(=C3)C(=O)O)NC2=O
InChI
InChI=1S/C11H10N2O3/c14-10(15)6-1-4-8-9(5-6)13(7-2-3-7)11(16)12-8/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15)
InChIKey
JOALTBZZXLKPMS-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 147.9
[M+Na]+ 241.05836 160.5
[M-H]- 217.06186 152.1
[M+NH4]+ 236.10296 160.7
[M+K]+ 257.03230 154.1
[M+H-H2O]+ 201.06640 141.3
[M+HCOO]- 263.06734 168.4
[M+CH3COO]- 277.08299 160.4
[M+Na-2H]- 239.04381 152.2
[M]+ 218.06859 151.2
[M]- 218.06969 151.2
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