CID 3299230

39028-27-8

Structural Information

Molecular Formula
C6H6INO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CI
InChI
InChI=1S/C6H6INO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2
InChIKey
VRDGQQTWSGDXCU-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5435
Patents

282.93417 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.941446 139.7
[M+Na]+ 305.923388 141.2
[M-H]- 281.926894 135.4
[M+NH4]+ 300.967993 155.3
[M+K]+ 321.897328 146.7
[M+H-H2O]+ 265.931430 130.6
[M+HCOO]- 327.932371 157.0
[M+CH3COO]- 341.948021 185.4
[M+Na-2H]- 303.908836 130.6
[M]+ 282.93362142 138.1
[M]- 282.93471858 138.1
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