CID 21709910

N-methyl-n-(oxan-4-yl)carbamoyl chloride

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CN(C1CCOCC1)C(=O)Cl

InChI

InChI=1S/C7H12ClNO2/c1-9(7(8)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3

InChIKey

RWFUXLPVGAMXEF-UHFFFAOYSA-N

Compound name

N-methyl-N-(oxan-4-yl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 177.05565 Da
Monoisotopic Mass: 1.2
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]+	178.06293	135.4
[M+Na]+	200.04487	145.9
[M+NH4]+	195.08947	144.2
[M+K]+	216.01881	141.0
[M-H]-	176.04837	138.8
[M+Na-2H]-	198.03032	140.2
[M]+	177.05510	137.9
[M]-	177.05620	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe