CID 43440711

1-[(phenylcarbamoyl)methyl]piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CC(CN(C1)CC(=O)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(15-12-6-2-1-3-7-12)10-16-8-4-5-11(9-16)14(18)19/h1-3,6-7,11H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKey
JLOHZODPXPPCQS-UHFFFAOYSA-N
Compound name
1-(2-anilino-2-oxoethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.1
[M+Na]+ 285.120958 163.0
[M-H]- 261.124464 162.9
[M+NH4]+ 280.165563 173.5
[M+K]+ 301.094898 160.2
[M+H-H2O]+ 245.129000 151.7
[M+HCOO]- 307.129941 177.3
[M+CH3COO]- 321.145591 195.0
[M+Na-2H]- 283.106406 162.1
[M]+ 262.13119142 154.7
[M]- 262.13228858 154.7
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

patents stripe