CID 105509418

6-(iodomethyl)-5-oxaspiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C7H9IO2
SMILES
C1CC12CC(OC2=O)CI
InChI
InChI=1S/C7H9IO2/c8-4-5-3-7(1-2-7)6(9)10-5/h5H,1-4H2
InChIKey
SOSUTPLVEXFOEH-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-5-oxaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.96474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.97202 135.4
[M+Na]+ 274.95396 139.0
[M-H]- 250.95746 136.1
[M+NH4]+ 269.99856 150.1
[M+K]+ 290.92790 144.0
[M+H-H2O]+ 234.96200 127.7
[M+HCOO]- 296.96294 152.5
[M+CH3COO]- 310.97859 184.0
[M+Na-2H]- 272.93941 130.8
[M]+ 251.96419 135.5
[M]- 251.96529 135.5
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.