CID 10464985

N-benzyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

CN(CC1=CC=CC=C1)C(=O)Cl

InChI

InChI=1S/C9H10ClNO/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

HIRNDYDRQNZASU-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 183.04509 Da
Monoisotopic Mass: 2.3
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]+	184.05237	136.5
[M+Na]+	206.03431	149.6
[M+NH4]+	201.07891	145.8
[M+K]+	222.00825	142.7
[M-H]-	182.03781	139.6
[M+Na-2H]-	204.01976	144.5
[M]+	183.04454	139.5
[M]-	183.04564	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe