CID 89686372

1-(iodomethyl)-2-oxabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC2(CCC1CO2)CI
InChI
InChI=1S/C8H13IO/c9-6-8-3-1-7(2-4-8)5-10-8/h7H,1-6H2
InChIKey
JJVUWWKSNMBGMX-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-2-oxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

252.00111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00839 123.7
[M+Na]+ 274.99033 121.8
[M-H]- 250.99383 114.7
[M+NH4]+ 270.03493 144.9
[M+K]+ 290.96427 126.9
[M+H-H2O]+ 234.99837 116.0
[M+HCOO]- 296.99931 131.4
[M+CH3COO]- 311.01496 131.8
[M+Na-2H]- 272.97578 126.5
[M]+ 252.00056 122.1
[M]- 252.00166 122.1
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

patents stripe