CID 765844

5-[(4-chlorophenyl)amino]-5-oxopentanoic acid

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1=CC(=CC=C1NC(=O)CCCC(=O)O)Cl
InChI
InChI=1S/C11H12ClNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChIKey
WWDMQLBWGBGYGS-UHFFFAOYSA-N
Compound name
5-(4-chloroanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2
Patents

241.05057 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 151.0
[M+Na]+ 264.03979 161.9
[M+NH4]+ 259.08439 157.7
[M+K]+ 280.01373 156.4
[M-H]- 240.04329 151.6
[M+Na-2H]- 262.02524 155.9
[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