CID 165761204

2758003-01-7

Structural Information

Molecular Formula
C10H15IO3
SMILES
COC(=O)C12CCC(CC1)(OC2)CI
InChI
InChI=1S/C10H15IO3/c1-13-8(12)9-2-4-10(6-11,5-3-9)14-7-9/h2-7H2,1H3
InChIKey
LHCGXLFEPWEGGI-UHFFFAOYSA-N
Compound name
methyl 1-(iodomethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0066 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01388 140.8
[M+Na]+ 332.99582 139.0
[M-H]- 308.99932 131.7
[M+NH4]+ 328.04042 161.5
[M+K]+ 348.96976 144.6
[M+H-H2O]+ 293.00386 132.9
[M+HCOO]- 355.00480 147.1
[M+CH3COO]- 369.02045 195.2
[M+Na-2H]- 330.98127 142.5
[M]+ 310.00605 141.6
[M]- 310.00715 141.6
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.