CID 2813193

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

Structural Information

Molecular Formula
C15H19NO3
SMILES
C1CN(CCC1C(=O)O)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)
InChIKey
WQOSVYASWDJHLK-UHFFFAOYSA-N
Compound name
1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

261.1365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 161.1
[M+Na]+ 284.125718 164.5
[M-H]- 260.129224 163.8
[M+NH4]+ 279.170323 174.9
[M+K]+ 300.099658 161.5
[M+H-H2O]+ 244.133760 152.9
[M+HCOO]- 306.134701 177.0
[M+CH3COO]- 320.150351 192.9
[M+Na-2H]- 282.111166 162.2
[M]+ 261.13595142 156.8
[M]- 261.13704858 156.8
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