CID 126983636

7-(iodomethyl)-2,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H15IO2
SMILES
C1CC(OC2(C1)CCOC2)CI
InChI
InChI=1S/C9H15IO2/c10-6-8-2-1-3-9(12-8)4-5-11-7-9/h8H,1-7H2
InChIKey
XAKRVVXMMKXSJK-UHFFFAOYSA-N
Compound name
7-(iodomethyl)-2,6-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01898 145.8
[M+Na]+ 305.00092 143.9
[M-H]- 281.00442 144.4
[M+NH4]+ 300.04552 161.9
[M+K]+ 320.97486 150.5
[M+H-H2O]+ 265.00896 137.2
[M+HCOO]- 327.00990 158.8
[M+CH3COO]- 341.02555 184.4
[M+Na-2H]- 302.98637 139.9
[M]+ 282.01115 139.4
[M]- 282.01225 139.4
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.