CID 15040338

N-methyl-n-propylcarbamoyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CCCN(C)C(=O)Cl

InChI

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

InChIKey

YEMRRHHMLASGRQ-UHFFFAOYSA-N

Compound name

N-methyl-N-propylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 135.04509 Da
Monoisotopic Mass: 1.7
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]+	136.05237	126.0
[M+Na]+	158.03431	133.9
[M-H]-	134.03781	127.9
[M+NH4]+	153.07891	149.2
[M+K]+	174.00825	133.4
[M+H-H2O]+	118.04235	122.3
[M+HCOO]-	180.04329	146.6
[M+CH3COO]-	194.05894	177.6
[M+Na-2H]-	156.01976	131.4
[M]+	135.04454	129.2
[M]-	135.04564	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe