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

136
Patents

183.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 136.7
[M+Na]+ 206.034308 144.3
[M-H]- 182.037814 141.7
[M+NH4]+ 201.078913 157.8
[M+K]+ 222.008248 142.1
[M+H-H2O]+ 166.042350 131.4
[M+HCOO]- 228.043291 157.8
[M+CH3COO]- 242.058941 184.8
[M+Na-2H]- 204.019756 142.8
[M]+ 183.04454142 139.3
[M]- 183.04563858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe