CID 165941639

1-(iodomethyl)-4-methyl-2-oxabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C9H15IO
SMILES
CC12CCC(CC1)(OC2)CI
InChI
InChI=1S/C9H15IO/c1-8-2-4-9(6-10,5-3-8)11-7-8/h2-7H2,1H3
InChIKey
WMWDGPWJZGCONH-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-4-methyl-2-oxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01675 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.024026 129.2
[M+Na]+ 289.005968 127.9
[M-H]- 265.009474 120.4
[M+NH4]+ 284.050573 151.7
[M+K]+ 304.979908 132.7
[M+H-H2O]+ 249.014010 121.2
[M+HCOO]- 311.014951 136.4
[M+CH3COO]- 325.030601 137.2
[M+Na-2H]- 286.991416 132.2
[M]+ 266.01620142 128.2
[M]- 266.01729858 128.2
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

No patent data available for this compound.