CID 165983789

Prop-2-en-1-yl 4-amino-4-cyanopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

C=CCOC(=O)N1CCC(CC1)(C#N)N

InChI

InChI=1S/C10H15N3O2/c1-2-7-15-9(14)13-5-3-10(12,8-11)4-6-13/h2H,1,3-7,12H2

InChIKey

JOOKYQODKHTKOH-UHFFFAOYSA-N

Compound name

prop-2-enyl 4-amino-4-cyanopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.11642 Da
Monoisotopic Mass: 0.0
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]+	210.123696	146.3
[M+Na]+	232.105638	153.8
[M-H]-	208.109144	147.3
[M+NH4]+	227.150243	163.1
[M+K]+	248.079578	151.1
[M+H-H2O]+	192.113680	133.8
[M+HCOO]-	254.114621	162.0
[M+CH3COO]-	268.130271	197.9
[M+Na-2H]-	230.091086	149.6
[M]+	209.11587142	137.8
[M]-	209.11696858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.