CID 4996830

1-(4-chlorobenzoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H14ClNO3
SMILES
C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H14ClNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKey
DGUQEGBVTIEEKQ-UHFFFAOYSA-N
Compound name
1-(4-chlorobenzoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.06622 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07350 156.9
[M+Na]+ 290.05544 163.0
[M-H]- 266.05894 160.3
[M+NH4]+ 285.10004 171.8
[M+K]+ 306.02938 158.7
[M+H-H2O]+ 250.06348 150.1
[M+HCOO]- 312.06442 169.0
[M+CH3COO]- 326.08007 191.8
[M+Na-2H]- 288.04089 158.0
[M]+ 267.06567 154.6
[M]- 267.06677 154.6
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

No patent data available for this compound.