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: 497
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	118.2
[M+Na]+	119.05797	127.2
[M-H]-	95.061474	120.5
[M+NH4]+	114.10257	139.8
[M+K]+	135.03191	127.7
[M+H-H2O]+	79.066010	107.0
[M+HCOO]-	141.06695	140.3
[M+CH3COO]-	155.08260	185.4
[M+Na-2H]-	117.04342	125.1
[M]+	96.068201	113.9
[M]-	96.069299	113.9

Literature stripe

literature stripe

Patent stripe

patents stripe