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]+ 238.99274 133.1
[M+Na]+ 260.97468 135.6
[M-H]- 236.97818 133.5
[M+NH4]+ 256.01928 148.1
[M+K]+ 276.94862 141.1
[M+H-H2O]+ 220.98272 125.1
[M+HCOO]- 282.98366 149.9
[M+CH3COO]- 296.99931 182.0
[M+Na-2H]- 258.96013 129.1
[M]+ 237.98491 132.0
[M]- 237.98601 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.