CID 126970885

6-(iodomethyl)-5-oxaspiro[3.4]octane

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC2(C1)CCC(O2)CI
InChI
InChI=1S/C8H13IO/c9-6-7-2-5-8(10-7)3-1-4-8/h7H,1-6H2
InChIKey
VMYZCPNTCWXXOX-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-5-oxaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.008386 131.6
[M+Na]+ 274.990328 130.4
[M-H]- 250.993834 130.8
[M+NH4]+ 270.034933 144.6
[M+K]+ 290.964268 138.4
[M+H-H2O]+ 234.998370 120.1
[M+HCOO]- 296.999311 147.1
[M+CH3COO]- 311.014961 184.4
[M+Na-2H]- 272.975776 126.7
[M]+ 252.00056142 135.2
[M]- 252.00165858 135.2
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.