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

174
Patents

198.94942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95670 128.3
[M+Na]+ 221.93864 128.7
[M-H]- 197.94214 122.4
[M+NH4]+ 216.98324 146.5
[M+K]+ 237.91258 134.9
[M+H-H2O]+ 181.94668 120.3
[M+HCOO]- 243.94762 148.0
[M+CH3COO]- 257.96327 176.3
[M+Na-2H]- 219.92409 122.8
[M]+ 198.94887 125.3
[M]- 198.94997 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