CID 2232574

4-[(4-chlorophenyl)formamido]butanoic acid

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1=CC(=CC=C1C(=O)NCCCC(=O)O)Cl
InChI
InChI=1S/C11H12ClNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)
InChIKey
OWNIULYDSMYROG-UHFFFAOYSA-N
Compound name
4-[(4-chlorobenzoyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

241.05057 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 150.7
[M+Na]+ 264.03979 157.6
[M-H]- 240.04329 152.9
[M+NH4]+ 259.08439 168.0
[M+K]+ 280.01373 153.7
[M+H-H2O]+ 224.04783 145.5
[M+HCOO]- 286.04877 168.7
[M+CH3COO]- 300.06442 190.0
[M+Na-2H]- 262.02524 154.0
[M]+ 241.05002 152.7
[M]- 241.05112 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe