CID 14271033

7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCC1CCCC2(O1)CCC(O2)C
InChI
InChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKey
YJXRBYWOYOXYFN-UHFFFAOYSA-N
Compound name
7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

212.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 151.1
[M+Na]+ 235.16685 155.6
[M-H]- 211.17035 156.8
[M+NH4]+ 230.21145 171.3
[M+K]+ 251.14079 156.0
[M+H-H2O]+ 195.17489 146.0
[M+HCOO]- 257.17583 167.8
[M+CH3COO]- 271.19148 185.9
[M+Na-2H]- 233.15230 155.0
[M]+ 212.17708 148.9
[M]- 212.17818 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe