CID 4462806

2-cyano-n-pentylacetamide

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CCCCCNC(=O)CC#N

InChI

InChI=1S/C8H14N2O/c1-2-3-4-7-10-8(11)5-6-9/h2-5,7H2,1H3,(H,10,11)

InChIKey

ARUJMMLYEYWYAL-UHFFFAOYSA-N

Compound name

2-cyano-N-pentylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 154.11061 Da
Monoisotopic Mass: 1.2
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	133.9
[M+Na]+	177.099828	141.4
[M-H]-	153.103334	134.4
[M+NH4]+	172.144433	152.7
[M+K]+	193.073768	140.8
[M+H-H2O]+	137.107870	122.2
[M+HCOO]-	199.108811	154.1
[M+CH3COO]-	213.124461	192.9
[M+Na-2H]-	175.085276	138.8
[M]+	154.11006142	130.1
[M]-	154.11115858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe