CID 13788486

107175-73-5

Structural Information

Molecular Formula
C4H6INO2
SMILES
C1C(OC(=O)N1)CI
InChI
InChI=1S/C4H6INO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)
InChIKey
XPUGGFXNUVIKGP-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

226.94434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.95162 129.9
[M+Na]+ 249.93356 130.8
[M-H]- 225.93706 124.5
[M+NH4]+ 244.97816 145.7
[M+K]+ 265.90750 136.4
[M+H-H2O]+ 209.94160 121.1
[M+HCOO]- 271.94254 145.6
[M+CH3COO]- 285.95819 173.6
[M+Na-2H]- 247.91901 123.5
[M]+ 226.94379 125.2
[M]- 226.94489 125.2
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