CID 18702717

Sodium 1-(prop-2-enoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C=CC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C9H13NO3/c1-2-8(11)10-5-3-7(4-6-10)9(12)13/h2,7H,1,3-6H2,(H,12,13)

InChIKey

XBUIBIHOIQNJQG-UHFFFAOYSA-N

Compound name

1-prop-2-enoylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 183.08954 Da
Monoisotopic Mass: 0.3
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]+	184.09682	141.0
[M+Na]+	206.07876	149.8
[M+NH4]+	201.12336	147.0
[M+K]+	222.05270	146.0
[M-H]-	182.08226	139.7
[M+Na-2H]-	204.06421	143.2
[M]+	183.08899	141.3
[M]-	183.09009	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe