CID 39732852

4-[(cyclopropylcarbamoyl)amino]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 142.6
[M+Na]+ 243.07402 150.0
[M-H]- 219.07752 149.1
[M+NH4]+ 238.11862 154.9
[M+K]+ 259.04796 146.5
[M+H-H2O]+ 203.08206 136.1
[M+HCOO]- 265.08300 166.8
[M+CH3COO]- 279.09865 192.3
[M+Na-2H]- 241.05947 147.8
[M]+ 220.08425 143.3
[M]- 220.08535 143.3
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.