CID 61237

Dimethylaminoacetonitrile

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CN(C)CC#N

InChI

InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3

InChIKey

PLXBWEPPAAQASG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 633
Patents: 84.06875 Da
Monoisotopic Mass: 0.1
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]+	85.076026	117.4
[M+Na]+	107.05797	127.6
[M+NH4]+	102.10257	122.9
[M+K]+	123.03191	119.5
[M-H]-	83.061474	111.4
[M+Na-2H]-	105.04342	120.5
[M]+	84.068201	116.2
[M]-	84.069299	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe