CID 268413

2-chloro-n-(1-cyanocyclohexyl)acetamide

Structural Information

Molecular Formula

C₉H₁₃ClN₂O

SMILES

C1CCC(CC1)(C#N)NC(=O)CCl

InChI

InChI=1S/C9H13ClN2O/c10-6-8(13)12-9(7-11)4-2-1-3-5-9/h1-6H2,(H,12,13)

InChIKey

INVCOUXWXSTWNE-UHFFFAOYSA-N

Compound name

2-chloro-N-(1-cyanocyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.07164 Da
Monoisotopic Mass: 1.6
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]+	201.07892	143.0
[M+Na]+	223.06086	152.4
[M+NH4]+	218.10546	149.1
[M+K]+	239.03480	141.8
[M-H]-	199.06436	137.5
[M+Na-2H]-	221.04631	146.6
[M]+	200.07109	142.1
[M]-	200.07219	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe