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]+ 253.00839 131.6
[M+Na]+ 274.99033 130.4
[M-H]- 250.99383 130.8
[M+NH4]+ 270.03493 144.6
[M+K]+ 290.96427 138.4
[M+H-H2O]+ 234.99837 120.1
[M+HCOO]- 296.99931 147.1
[M+CH3COO]- 311.01496 184.4
[M+Na-2H]- 272.97578 126.7
[M]+ 252.00056 135.2
[M]- 252.00166 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.