CID 10080785

4969-03-3

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C=C(CN1CCCCC1)C(=O)O

InChI

InChI=1S/C9H15NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h1-7H2,(H,11,12)

InChIKey

VSSPIZRPHCYIAT-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 169.11028 Da
Monoisotopic Mass: -1.2
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]+	170.11756	138.8
[M+Na]+	192.09950	142.7
[M-H]-	168.10300	138.5
[M+NH4]+	187.14410	156.6
[M+K]+	208.07344	141.2
[M+H-H2O]+	152.10754	132.5
[M+HCOO]-	214.10848	155.0
[M+CH3COO]-	228.12413	176.4
[M+Na-2H]-	190.08495	141.1
[M]+	169.10973	133.2
[M]-	169.11083	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe