CID 3034575

1-piperidineacrylic acid, alpha-cyano-, ethyl ester

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CCOC(=O)/C(=C/N1CCCCC1)/C#N

InChI

InChI=1S/C11H16N2O2/c1-2-15-11(14)10(8-12)9-13-6-4-3-5-7-13/h9H,2-7H2,1H3/b10-9+

InChIKey

YDZMLTKHIFXYLM-MDZDMXLPSA-N

Compound name

ethyl (E)-2-cyano-3-piperidin-1-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.12119 Da
Monoisotopic Mass: 1.6
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]+	209.128466	146.3
[M+Na]+	231.110408	152.2
[M-H]-	207.113914	147.0
[M+NH4]+	226.155013	161.5
[M+K]+	247.084348	150.0
[M+H-H2O]+	191.118450	132.8
[M+HCOO]-	253.119391	160.5
[M+CH3COO]-	267.135041	196.8
[M+Na-2H]-	229.095856	148.3
[M]+	208.12064142	138.4
[M]-	208.12173858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe