CID 2795506

4-iodotetrahydro-2h-pyran

Structural Information

Molecular Formula
C5H9IO
SMILES
C1COCCC1I
InChI
InChI=1S/C5H9IO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
JTRNQTFTRDPITG-UHFFFAOYSA-N
Compound name
4-iodooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

741
Patents

211.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977076 127.8
[M+Na]+ 234.959018 126.6
[M-H]- 210.962524 124.4
[M+NH4]+ 230.003623 144.2
[M+K]+ 250.932958 133.3
[M+H-H2O]+ 194.967060 119.2
[M+HCOO]- 256.968001 143.4
[M+CH3COO]- 270.983651 174.6
[M+Na-2H]- 232.944466 123.5
[M]+ 211.96925142 121.7
[M]- 211.97034858 121.7
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