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: 787
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	114.1
[M+Na]+	107.05797	123.1
[M-H]-	83.061474	116.5
[M+NH4]+	102.10257	136.0
[M+K]+	123.03191	124.4
[M+H-H2O]+	67.066010	102.9
[M+HCOO]-	129.06695	136.3
[M+CH3COO]-	143.08260	184.2
[M+Na-2H]-	105.04342	121.6
[M]+	84.068201	110.1
[M]-	84.069299	110.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.