CID 5152357

2-chloro-n-cyclohexyl-n-methylpropanamide

Structural Information

Molecular Formula

C₁₀H₁₈ClNO

SMILES

CC(C(=O)N(C)C1CCCCC1)Cl

InChI

InChI=1S/C10H18ClNO/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

VXOMDVJGNBUFAL-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclohexyl-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.1077 Da
Monoisotopic Mass: 2.6
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]+	204.114976	146.9
[M+Na]+	226.096918	150.7
[M-H]-	202.100424	150.6
[M+NH4]+	221.141523	166.7
[M+K]+	242.070858	149.3
[M+H-H2O]+	186.104960	141.6
[M+HCOO]-	248.105901	162.2
[M+CH3COO]-	262.121551	189.8
[M+Na-2H]-	224.082366	148.1
[M]+	203.10715142	144.8
[M]-	203.10824858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe