CID 2473095

147958-89-2

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1CN(CCC1C(=O)O)C(=O)/C=C/C2=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)/b7-6+
InChIKey
BARCAQQBDOOISH-VOTSOKGWSA-N
Compound name
1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 260.12813 160.1
[M+Na]+ 282.11007 164.0
[M-H]- 258.11357 162.9
[M+NH4]+ 277.15467 174.0
[M+K]+ 298.08401 160.3
[M+H-H2O]+ 242.11811 152.1
[M+HCOO]- 304.11905 176.2
[M+CH3COO]- 318.13470 191.4
[M+Na-2H]- 280.09552 161.2
[M]+ 259.12030 155.1
[M]- 259.12140 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

literature stripe

Patent stripe

No patent data available for this compound.