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

141
Patents

183.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.7
[M+Na]+ 206.03431 144.3
[M-H]- 182.03781 141.7
[M+NH4]+ 201.07891 157.8
[M+K]+ 222.00825 142.1
[M+H-H2O]+ 166.04235 131.4
[M+HCOO]- 228.04329 157.8
[M+CH3COO]- 242.05894 184.8
[M+Na-2H]- 204.01976 142.8
[M]+ 183.04454 139.3
[M]- 183.04564 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