CID 4342705

N-(1-cyano-1-ethylpropyl)acetamide

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

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

InChI

InChI=1S/C8H14N2O/c1-4-8(5-2,6-9)10-7(3)11/h4-5H2,1-3H3,(H,10,11)

InChIKey

WKPMJCFAFDOIGJ-UHFFFAOYSA-N

Compound name

N-(3-cyanopentan-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.11061 Da
Monoisotopic Mass: 1.0
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]+	155.117886	137.1
[M+Na]+	177.099828	144.9
[M-H]-	153.103334	138.0
[M+NH4]+	172.144433	156.0
[M+K]+	193.073768	144.8
[M+H-H2O]+	137.107870	126.0
[M+HCOO]-	199.108811	155.8
[M+CH3COO]-	213.124461	193.1
[M+Na-2H]-	175.085276	142.3
[M]+	154.11006142	132.8
[M]-	154.11115858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe