CID 165997395

Methyl 1-(iodomethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylate

Structural Information

Molecular Formula
C9H13IO3
SMILES
COC(=O)C12CCC(C1)(OC2)CI
InChI
InChI=1S/C9H13IO3/c1-12-7(11)8-2-3-9(4-8,5-10)13-6-8/h2-6H2,1H3
InChIKey
LKEPGLHNBRSVFZ-UHFFFAOYSA-N
Compound name
methyl 1-(iodomethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99094 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.998216 146.1
[M+Na]+ 318.980158 147.0
[M-H]- 294.983664 142.7
[M+NH4]+ 314.024763 168.0
[M+K]+ 334.954098 152.6
[M+H-H2O]+ 278.988200 139.9
[M+HCOO]- 340.989141 161.2
[M+CH3COO]- 355.004791 187.6
[M+Na-2H]- 316.965606 140.7
[M]+ 295.99039142 145.6
[M]- 295.99148858 145.6
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.