CID 43452679

3-(cyclopropylcarbamoyl)benzoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC1NC(=O)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9H,4-5H2,(H,12,13)(H,14,15)
InChIKey
RIYVMGLVUQLYJB-UHFFFAOYSA-N
Compound name
3-(cyclopropylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.7
[M+Na]+ 228.06312 157.5
[M+NH4]+ 223.10772 153.3
[M+K]+ 244.03706 154.3
[M-H]- 204.06662 154.6
[M+Na-2H]- 226.04857 154.0
[M]+ 205.07335 150.7
[M]- 205.07445 150.7
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