CID 130582943

6-(iodomethyl)-5-oxaspiro[3.5]nonane

Structural Information

Molecular Formula
C9H15IO
SMILES
C1CC(OC2(C1)CCC2)CI
InChI
InChI=1S/C9H15IO/c10-7-8-3-1-4-9(11-8)5-2-6-9/h8H,1-7H2
InChIKey
BQYCVQDQMQMGNO-UHFFFAOYSA-N
Compound name
6-(iodomethyl)-5-oxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01675 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.024026 135.9
[M+Na]+ 289.005968 133.6
[M-H]- 265.009474 134.6
[M+NH4]+ 284.050573 146.7
[M+K]+ 304.979908 141.8
[M+H-H2O]+ 249.014010 123.2
[M+HCOO]- 311.014951 149.1
[M+CH3COO]- 325.030601 187.4
[M+Na-2H]- 286.991416 131.7
[M]+ 266.01620142 137.9
[M]- 266.01729858 137.9
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.