CID 44983

Diethylaminoacetonitrile

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CCN(CC)CC#N

InChI

InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3

InChIKey

LVPZSMIBSMMLPI-UHFFFAOYSA-N

Compound name

2-(diethylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1321
Patents: 112.10005 Da
Monoisotopic Mass: 0.8
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]+	113.10733	125.4
[M+Na]+	135.08927	135.3
[M+NH4]+	130.13387	130.6
[M+K]+	151.06321	126.7
[M-H]-	111.09277	119.3
[M+Na-2H]-	133.07472	128.0
[M]+	112.09950	124.1
[M]-	112.10060	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe