CID 39732850

3-[(cyclopropylcarbamoyl)amino]benzoic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1CC1NC(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c14-10(15)7-2-1-3-9(6-7)13-11(16)12-8-4-5-8/h1-3,6,8H,4-5H2,(H,14,15)(H2,12,13,16)
InChIKey
GSWYSHNMCULROB-UHFFFAOYSA-N
Compound name
3-(cyclopropylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.8
[M+Na]+ 243.07402 159.4
[M+NH4]+ 238.11862 156.0
[M+K]+ 259.04796 156.6
[M-H]- 219.07752 158.0
[M+Na-2H]- 241.05947 156.9
[M]+ 220.08425 153.6
[M]- 220.08535 153.6
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

No patent data available for this compound.