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

6
Patents

218.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 147.9
[M+Na]+ 241.058358 160.5
[M-H]- 217.061864 152.1
[M+NH4]+ 236.102963 160.7
[M+K]+ 257.032298 154.1
[M+H-H2O]+ 201.066400 141.3
[M+HCOO]- 263.067341 168.4
[M+CH3COO]- 277.082991 160.4
[M+Na-2H]- 239.043806 152.2
[M]+ 218.06859142 151.2
[M]- 218.06968858 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