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]+ 267.02403 129.2
[M+Na]+ 289.00597 127.9
[M-H]- 265.00947 120.4
[M+NH4]+ 284.05057 151.7
[M+K]+ 304.97991 132.7
[M+H-H2O]+ 249.01401 121.2
[M+HCOO]- 311.01495 136.4
[M+CH3COO]- 325.03060 137.2
[M+Na-2H]- 286.99142 132.2
[M]+ 266.01620 128.2
[M]- 266.01730 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.