CID 131411745

6-(iodomethyl)-5-oxaspiro[2.4]heptane

Structural Information

Molecular Formula
C7H11IO
SMILES
C1CC12CC(OC2)CI
InChI
InChI=1S/C7H11IO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5H2
InChIKey
BXKPLCBMQBFODT-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-5-oxaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.992736 133.1
[M+Na]+ 260.974678 135.6
[M-H]- 236.978184 133.5
[M+NH4]+ 256.019283 148.1
[M+K]+ 276.948618 141.1
[M+H-H2O]+ 220.982720 125.1
[M+HCOO]- 282.983661 149.9
[M+CH3COO]- 296.999311 182.0
[M+Na-2H]- 258.960126 129.1
[M]+ 237.98491142 132.0
[M]- 237.98600858 132.0
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.