CID 4339549

1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1CN(CCC1C(=O)O)C(=O)C=CC2=CC=CC=C2
InChI
InChI=1S/C15H17NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-7,13H,8-11H2,(H,18,19)
InChIKey
BARCAQQBDOOISH-UHFFFAOYSA-N
Compound name
1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 160.1
[M+Na]+ 282.110068 164.0
[M-H]- 258.113574 162.9
[M+NH4]+ 277.154673 174.0
[M+K]+ 298.084008 160.3
[M+H-H2O]+ 242.118110 152.1
[M+HCOO]- 304.119051 176.2
[M+CH3COO]- 318.134701 191.4
[M+Na-2H]- 280.095516 161.2
[M]+ 259.12030142 155.1
[M]- 259.12139858 155.1
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.