CID 10773452

197892-69-6

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C1CCN(CC1)C/C=C/C(=O)O

InChI

InChI=1S/C9H15NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h4-5H,1-3,6-8H2,(H,11,12)/b5-4+

InChIKey

NFZOHOJPYXFOQW-SNAWJCMRSA-N

Compound name

(E)-4-piperidin-1-ylbut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 169.11028 Da
Monoisotopic Mass: -1.4
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	139.0
[M+Na]+	192.09950	143.2
[M-H]-	168.10300	138.6
[M+NH4]+	187.14410	156.9
[M+K]+	208.07344	141.3
[M+H-H2O]+	152.10754	132.6
[M+HCOO]-	214.10848	156.2
[M+CH3COO]-	228.12413	174.9
[M+Na-2H]-	190.08495	142.4
[M]+	169.10973	134.0
[M]-	169.11083	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe