CID 3613317

2-chloro-n-cyclohexylpropanamide

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CC(C(=O)NC1CCCCC1)Cl

InChI

InChI=1S/C9H16ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,12)

InChIKey

XEZUQDMCORIBFZ-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclohexylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 189.09204 Da
Monoisotopic Mass: 2.4
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	142.9
[M+Na]+	212.08126	146.9
[M-H]-	188.08476	145.2
[M+NH4]+	207.12586	162.6
[M+K]+	228.05520	144.4
[M+H-H2O]+	172.08930	137.9
[M+HCOO]-	234.09024	158.0
[M+CH3COO]-	248.10589	183.3
[M+Na-2H]-	210.06671	145.3
[M]+	189.09149	139.1
[M]-	189.09259	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe