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]+ 253.008386 123.7
[M+Na]+ 274.990328 121.8
[M-H]- 250.993834 114.7
[M+NH4]+ 270.034933 144.9
[M+K]+ 290.964268 126.9
[M+H-H2O]+ 234.998370 116.0
[M+HCOO]- 296.999311 131.4
[M+CH3COO]- 311.014961 131.8
[M+Na-2H]- 272.975776 126.5
[M]+ 252.00056142 122.1
[M]- 252.00165858 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