CID 132342143

5-(iodomethyl)-6-oxaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C8H11IO2
SMILES
C1CC2(C1)CC(=O)OC2CI
InChI
InChI=1S/C8H11IO2/c9-5-6-8(2-1-3-8)4-7(10)11-6/h6H,1-5H2
InChIKey
UYUVPGJSFCBNLX-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-6-oxaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.98038 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98766 133.2
[M+Na]+ 288.96960 132.9
[M-H]- 264.97310 132.7
[M+NH4]+ 284.01420 145.8
[M+K]+ 304.94354 140.8
[M+H-H2O]+ 248.97764 121.8
[M+HCOO]- 310.97858 148.9
[M+CH3COO]- 324.99423 186.4
[M+Na-2H]- 286.95505 127.7
[M]+ 265.97983 137.8
[M]- 265.98093 137.8
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.