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]+ 267.02403 135.9
[M+Na]+ 289.00597 133.6
[M-H]- 265.00947 134.6
[M+NH4]+ 284.05057 146.7
[M+K]+ 304.97991 141.8
[M+H-H2O]+ 249.01401 123.2
[M+HCOO]- 311.01495 149.1
[M+CH3COO]- 325.03060 187.4
[M+Na-2H]- 286.99142 131.7
[M]+ 266.01620 137.9
[M]- 266.01730 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.