CID 28744232

4-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl)butanoic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1=CC2=C(C=C1CCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C11H12N2O3/c14-10(15)3-1-2-7-4-5-8-9(6-7)13-11(16)12-8/h4-6H,1-3H2,(H,14,15)(H2,12,13,16)
InChIKey
XNEGUTSSQSNXMQ-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.3
[M+Na]+ 243.07402 155.8
[M-H]- 219.07752 144.9
[M+NH4]+ 238.11862 163.0
[M+K]+ 259.04796 150.7
[M+H-H2O]+ 203.08206 139.9
[M+HCOO]- 265.08300 165.1
[M+CH3COO]- 279.09865 180.1
[M+Na-2H]- 241.05947 151.0
[M]+ 220.08425 146.4
[M]- 220.08535 146.4
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

No patent data available for this compound.