CID 6598

Dimethylcarbamoyl chloride

Structural Information

Molecular Formula
C3H6ClNO
SMILES
CN(C)C(=O)Cl
InChI
InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
InChIKey
YIIMEMSDCNDGTB-UHFFFAOYSA-N
Compound name
N,N-dimethylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

17642
Patents

107.013794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 116.3
[M+Na]+ 130.00301 127.4
[M+NH4]+ 125.04762 125.2
[M+K]+ 145.97695 122.6
[M-H]- 106.00652 116.7
[M+Na-2H]- 127.98846 121.4
[M]+ 107.01325 118.1
[M]- 107.01434 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe