CID 2734926

N-methoxy-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₃H₆ClNO₂

SMILES

CN(C(=O)Cl)OC

InChI

InChI=1S/C3H6ClNO2/c1-5(7-2)3(4)6/h1-2H3

InChIKey

SHQJHXLWZDMQEJ-UHFFFAOYSA-N

Compound name

N-methoxy-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 404
Patents: 123.008705 Da
Monoisotopic Mass: 0.8
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]+	124.015981	119.0
[M+Na]+	145.997923	127.7
[M-H]-	122.001429	121.3
[M+NH4]+	141.042528	142.7
[M+K]+	161.971863	128.2
[M+H-H2O]+	106.005965	115.6
[M+HCOO]-	168.006906	140.6
[M+CH3COO]-	182.022556	173.5
[M+Na-2H]-	143.983371	125.6
[M]+	123.00815642	123.0
[M]-	123.00925358	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe