CID 706143

2-cyano-n-cyclohexylacetamide

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1CCC(CC1)NC(=O)CC#N

InChI

InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)

InChIKey

RURWLUVLDBYUEN-UHFFFAOYSA-N

Compound name

2-cyano-N-cyclohexylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 166.11061 Da
Monoisotopic Mass: 1.8
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]+	167.117886	137.6
[M+Na]+	189.099828	143.7
[M-H]-	165.103334	140.0
[M+NH4]+	184.144433	155.4
[M+K]+	205.073768	141.4
[M+H-H2O]+	149.107870	125.3
[M+HCOO]-	211.108811	155.0
[M+CH3COO]-	225.124461	192.2
[M+Na-2H]-	187.085276	141.7
[M]+	166.11006142	128.0
[M]-	166.11115858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe