CID 20112658

1-(2-phenylacetyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO3/c16-13(9-11-5-2-1-3-6-11)15-8-4-7-12(10-15)14(17)18/h1-3,5-6,12H,4,7-10H2,(H,17,18)
InChIKey
POFNOURPIVBRIP-UHFFFAOYSA-N
Compound name
1-(2-phenylacetyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 157.3
[M+Na]+ 270.11007 168.0
[M+NH4]+ 265.15467 164.1
[M+K]+ 286.08401 162.7
[M-H]- 246.11357 159.1
[M+Na-2H]- 268.09552 162.7
[M]+ 247.12030 159.0
[M]- 247.12140 159.0
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.