CID 21822753

N-(1-chloro-2-methylpropyl)-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₆H₁₁Cl₂NO

SMILES

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

InChI

InChI=1S/C6H11Cl2NO/c1-4(2)5(7)9(3)6(8)10/h4-5H,1-3H3

InChIKey

GECCLKVIXUHMFN-UHFFFAOYSA-N

Compound name

N-(1-chloro-2-methylpropyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.02177 Da
Monoisotopic Mass: 2.9
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]+	184.029046	135.5
[M+Na]+	206.010988	143.0
[M-H]-	182.014494	136.9
[M+NH4]+	201.055593	157.0
[M+K]+	221.984928	141.2
[M+H-H2O]+	166.019030	132.8
[M+HCOO]-	228.019971	149.0
[M+CH3COO]-	242.035621	187.1
[M+Na-2H]-	203.996436	137.4
[M]+	183.02122142	138.9
[M]-	183.02231858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe