CID 11332952

Cyclohexylethylcarbamoyl chloride

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CCN(C1CCCCC1)C(=O)Cl

InChI

InChI=1S/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey

ONKIPJDBUYZQMP-UHFFFAOYSA-N

Compound name

N-cyclohexyl-N-ethylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 115
Patents: 189.09204 Da
Monoisotopic Mass: 3.9
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]+	190.099316	142.4
[M+Na]+	212.081258	146.9
[M-H]-	188.084764	146.2
[M+NH4]+	207.125863	162.9
[M+K]+	228.055198	145.3
[M+H-H2O]+	172.089300	137.1
[M+HCOO]-	234.090241	159.0
[M+CH3COO]-	248.105891	185.9
[M+Na-2H]-	210.066706	145.3
[M]+	189.09149142	140.5
[M]-	189.09258858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe