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: 1217
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]+	113.107326	122.1
[M+Na]+	135.089268	130.4
[M-H]-	111.092774	124.2
[M+NH4]+	130.133873	143.1
[M+K]+	151.063208	131.2
[M+H-H2O]+	95.097310	110.6
[M+HCOO]-	157.098251	143.8
[M+CH3COO]-	171.113901	189.6
[M+Na-2H]-	133.074716	128.7
[M]+	112.09950142	118.8
[M]-	112.10059858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe