CID 5324735

3-(dimethylamino)acrylonitrile

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CN(C)/C=C/C#N

InChI

InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+

InChIKey

ZKKBIZXAEDFPNL-HWKANZROSA-N

Compound name

(E)-3-(dimethylamino)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 369
Patents: 96.06875 Da
Monoisotopic Mass: 0.5
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	121.6
[M+Na]+	119.05797	131.7
[M+NH4]+	114.10257	126.7
[M+K]+	135.03191	123.1
[M-H]-	95.061474	115.3
[M+Na-2H]-	117.04342	124.2
[M]+	96.068201	120.2
[M]-	96.069299	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe