CID 80931

6452-47-7

Structural Information

Molecular Formula

SMILES

CNC(=O)Cl

InChI

InChI=1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)

InChIKey

GRRYSIXDUIAUGY-UHFFFAOYSA-N

Compound name

N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1650
Patents: 92.99814 Da
Monoisotopic Mass: 0.6
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]+	94.005416	112.5
[M+Na]+	115.98736	121.3
[M-H]-	91.990864	113.4
[M+NH4]+	111.03196	136.6
[M+K]+	131.96130	120.3
[M+H-H2O]+	75.995400	109.5
[M+HCOO]-	137.99634	133.5
[M+CH3COO]-	152.01199	164.9
[M+Na-2H]-	113.97281	120.2
[M]+	92.997591	113.2
[M]-	92.998689	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe