CID 1988455

N-(2-cyanoethyl)-n-methylacetamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(=O)N(C)CCC#N

InChI

InChI=1S/C6H10N2O/c1-6(9)8(2)5-3-4-7/h3,5H2,1-2H3

InChIKey

XVWNWBDQUDOFRY-UHFFFAOYSA-N

Compound name

N-(2-cyanoethyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 126.079315 Da
Monoisotopic Mass: -0.6
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]+	127.08659	125.8
[M+Na]+	149.06853	134.2
[M-H]-	125.07204	128.0
[M+NH4]+	144.11314	146.2
[M+K]+	165.04247	135.3
[M+H-H2O]+	109.07658	114.2
[M+HCOO]-	171.07752	147.0
[M+CH3COO]-	185.09317	190.6
[M+Na-2H]-	147.05398	131.0
[M]+	126.07877	122.5
[M]-	126.07986	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe