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

5374
Patents

282.93417 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.94145 139.7
[M+Na]+ 305.92339 141.2
[M-H]- 281.92689 135.4
[M+NH4]+ 300.96799 155.3
[M+K]+ 321.89733 146.7
[M+H-H2O]+ 265.93143 130.6
[M+HCOO]- 327.93237 157.0
[M+CH3COO]- 341.94802 185.4
[M+Na-2H]- 303.90884 130.6
[M]+ 282.93362 138.1
[M]- 282.93472 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.