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

68
Patents

211.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97708 127.8
[M+Na]+ 234.95902 126.6
[M-H]- 210.96252 124.4
[M+NH4]+ 230.00362 144.2
[M+K]+ 250.93296 133.3
[M+H-H2O]+ 194.96706 119.2
[M+HCOO]- 256.96800 143.4
[M+CH3COO]- 270.98365 174.6
[M+Na-2H]- 232.94447 123.5
[M]+ 211.96925 121.7
[M]- 211.97035 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