CID 12251086

3-iodo-tetrahydro-pyran

Structural Information

Molecular Formula
C5H9IO
SMILES
C1CC(COC1)I
InChI
InChI=1S/C5H9IO/c6-5-2-1-3-7-4-5/h5H,1-4H2
InChIKey
QVJRNESQUGVQKG-UHFFFAOYSA-N
Compound name
3-iodooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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

No literature data available for this compound.

Patent stripe

patents stripe