CID 22631853

2-iodo-n-methylacetamide

Structural Information

Molecular Formula
C3H6INO
SMILES
CNC(=O)CI
InChI
InChI=1S/C3H6INO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey
AQXWCZGHGXWGAL-UHFFFAOYSA-N
Compound name
2-iodo-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

170
Patents

198.94942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.956696 128.3
[M+Na]+ 221.938638 128.7
[M-H]- 197.942144 122.4
[M+NH4]+ 216.983243 146.5
[M+K]+ 237.912578 134.9
[M+H-H2O]+ 181.946680 120.3
[M+HCOO]- 243.947621 148.0
[M+CH3COO]- 257.963271 176.3
[M+Na-2H]- 219.924086 122.8
[M]+ 198.94887142 125.3
[M]- 198.94996858 125.3
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