CID 19438058

Alpha-cyano-homoallylamine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C=CCC(C#N)N

InChI

InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h2,5H,1,3,7H2

InChIKey

PZOYNGHQZPLBKL-UHFFFAOYSA-N

Compound name

2-aminopent-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 96.06875 Da
Monoisotopic Mass: 0.2
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]+	97.076026	122.1
[M+Na]+	119.05797	131.4
[M+NH4]+	114.10257	126.7
[M+K]+	135.03191	123.4
[M-H]-	95.061474	115.1
[M+Na-2H]-	117.04342	123.8
[M]+	96.068201	120.4
[M]-	96.069299	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe