CID 2389989

2-chloro-n-(cyclohexylmethyl)acetamide

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

C1CCC(CC1)CNC(=O)CCl

InChI

InChI=1S/C9H16ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)

InChIKey

XCBFUXBNWGQTOD-UHFFFAOYSA-N

Compound name

2-chloro-N-(cyclohexylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 189.09204 Da
Monoisotopic Mass: 2.5
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]+	190.09932	142.8
[M+Na]+	212.08126	147.0
[M-H]-	188.08476	145.0
[M+NH4]+	207.12586	162.6
[M+K]+	228.05520	144.0
[M+H-H2O]+	172.08930	137.6
[M+HCOO]-	234.09024	158.8
[M+CH3COO]-	248.10589	182.4
[M+Na-2H]-	210.06671	146.4
[M]+	189.09149	139.5
[M]-	189.09259	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe