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]+ 252.972016 135.4
[M+Na]+ 274.953958 139.0
[M-H]- 250.957464 136.1
[M+NH4]+ 269.998563 150.1
[M+K]+ 290.927898 144.0
[M+H-H2O]+ 234.962000 127.7
[M+HCOO]- 296.962941 152.5
[M+CH3COO]- 310.978591 184.0
[M+Na-2H]- 272.939406 130.8
[M]+ 251.96419142 135.5
[M]- 251.96528858 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.