CID 66773

2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C3H6ClNO
SMILES
CNC(=O)CCl
InChI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey
HOZLOOPIXHWKCI-UHFFFAOYSA-N
Compound name
2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1649
Patents

107.013794 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 116.3
[M+Na]+ 130.00301 127.2
[M+NH4]+ 125.04762 124.9
[M+K]+ 145.97695 121.8
[M-H]- 106.00652 116.3
[M+Na-2H]- 127.98846 121.2
[M]+ 107.01325 117.9
[M]- 107.01434 117.9
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