CID 130582623

2-(iodomethyl)-1-oxaspiro[4.7]dodecane

Structural Information

Molecular Formula
C12H21IO
SMILES
C1CCCC2(CCC1)CCC(O2)CI
InChI
InChI=1S/C12H21IO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10H2
InChIKey
LJBPTJHRFJGHLY-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-1-oxaspiro[4.7]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.06372 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07100 161.5
[M+Na]+ 331.05294 161.8
[M-H]- 307.05644 160.7
[M+NH4]+ 326.09754 168.8
[M+K]+ 347.02688 164.6
[M+H-H2O]+ 291.06098 156.3
[M+HCOO]- 353.06192 166.8
[M+CH3COO]- 367.07757 163.8
[M+Na-2H]- 329.03839 155.3
[M]+ 308.06317 157.5
[M]- 308.06427 157.5
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.