CID 15209947

N-cyclohexyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CN(C1CCCCC1)C(=O)Cl

InChI

InChI=1S/C8H14ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

BZWYKPFEWYJQJZ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 175.07639 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]+	176.083666	137.7
[M+Na]+	198.065608	142.6
[M-H]-	174.069114	141.7
[M+NH4]+	193.110213	158.8
[M+K]+	214.039548	141.3
[M+H-H2O]+	158.073650	132.7
[M+HCOO]-	220.074591	154.7
[M+CH3COO]-	234.090241	182.9
[M+Na-2H]-	196.051056	141.2
[M]+	175.07584142	135.4
[M]-	175.07693858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe