CID 13060014

(dimethylcarbamoyl)carbonyl chloride

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

CN(C)C(=O)C(=O)Cl

InChI

InChI=1S/C4H6ClNO2/c1-6(2)4(8)3(5)7/h1-2H3

InChIKey

DJSSLRVAYVVBLQ-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-oxoacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 135.00871 Da
Monoisotopic Mass: 0.7
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]+	136.015986	122.2
[M+Na]+	157.997928	130.6
[M-H]-	134.001434	124.5
[M+NH4]+	153.042533	145.2
[M+K]+	173.971868	130.6
[M+H-H2O]+	118.005970	118.7
[M+HCOO]-	180.006911	142.7
[M+CH3COO]-	194.022561	176.5
[M+Na-2H]-	155.983376	127.0
[M]+	135.00816142	125.2
[M]-	135.00925858	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe