CID 4429965

2-cyano-n-propylacetamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCCNC(=O)CC#N

InChI

InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h2-3,5H2,1H3,(H,8,9)

InChIKey

QXWFLDZVDBAJAG-UHFFFAOYSA-N

Compound name

2-cyano-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 128
Patents: 126.079315 Da
Monoisotopic Mass: 0.3
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	126.0
[M+Na]+	149.06853	134.2
[M-H]-	125.07204	126.8
[M+NH4]+	144.11314	145.8
[M+K]+	165.04247	134.1
[M+H-H2O]+	109.07658	114.6
[M+HCOO]-	171.07752	146.7
[M+CH3COO]-	185.09317	187.4
[M+Na-2H]-	147.05398	131.9
[M]+	126.07877	121.5
[M]-	126.07986	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe