CID 155822736

2567503-32-4

Structural Information

Molecular Formula

C₁₅H₁₇NO₃

SMILES

C=CC(=O)N1CCCC(C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C15H17NO3/c1-2-14(17)16-8-4-7-13(10-16)11-5-3-6-12(9-11)15(18)19/h2-3,5-6,9,13H,1,4,7-8,10H2,(H,18,19)

InChIKey

YNELEIMKUZELMX-UHFFFAOYSA-N

Compound name

3-(1-prop-2-enoylpiperidin-3-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.12085 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.128126	159.4
[M+Na]+	282.110068	164.1
[M-H]-	258.113574	162.5
[M+NH4]+	277.154673	173.5
[M+K]+	298.084008	160.5
[M+H-H2O]+	242.118110	151.6
[M+HCOO]-	304.119051	175.5
[M+CH3COO]-	318.134701	193.3
[M+Na-2H]-	280.095516	159.8
[M]+	259.12030142	154.8
[M]-	259.12139858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.