CID 3727

2-iodoacetamide

Structural Information

Molecular Formula
C2H4INO
SMILES
C(C(=O)N)I
InChI
InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
PGLTVOMIXTUURA-UHFFFAOYSA-N
Compound name
2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3282
References

79476
Patents

184.93376 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.941036 125.0
[M+Na]+ 207.922978 125.7
[M-H]- 183.926484 118.7
[M+NH4]+ 202.967583 143.3
[M+K]+ 223.896918 131.7
[M+H-H2O]+ 167.931020 117.1
[M+HCOO]- 229.931961 144.3
[M+CH3COO]- 243.947611 173.4
[M+Na-2H]- 205.908426 118.8
[M]+ 184.93321142 120.6
[M]- 184.93430858 120.6
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