CID 138987803

3-(iodomethyl)-2,8-dioxaspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C9H13IO3
SMILES
C1COCCC12CC(OC2=O)CI
InChI
InChI=1S/C9H13IO3/c10-6-7-5-9(8(11)13-7)1-3-12-4-2-9/h7H,1-6H2
InChIKey
OASLIYGSSVBWCM-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-2,8-dioxaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99822 147.2
[M+Na]+ 318.98016 146.4
[M-H]- 294.98366 146.2
[M+NH4]+ 314.02476 163.0
[M+K]+ 334.95410 152.9
[M+H-H2O]+ 278.98820 138.9
[M+HCOO]- 340.98914 160.5
[M+CH3COO]- 355.00479 186.7
[M+Na-2H]- 316.96561 140.9
[M]+ 295.99039 142.0
[M]- 295.99149 142.0
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.