CID 6916

Diethylcarbamoyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CCN(CC)C(=O)Cl

InChI

InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3

InChIKey

OFCCYDUUBNUJIB-UHFFFAOYSA-N

Compound name

N,N-diethylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 4958
Patents: 135.04509 Da
Monoisotopic Mass: 1.4
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]+	136.05237	125.2
[M+Na]+	158.03431	136.0
[M+NH4]+	153.07891	133.8
[M+K]+	174.00825	130.6
[M-H]-	134.03781	125.5
[M+Na-2H]-	156.01976	129.8
[M]+	135.04454	126.9
[M]-	135.04564	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe