CID 13227785

2,7-dipropyl-1,6-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCC1CCC2(O1)CCC(O2)CCC
InChI
InChI=1S/C13H24O2/c1-3-5-11-7-9-13(14-11)10-8-12(15-13)6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
LPKNCNDPYXUXOL-UHFFFAOYSA-N
Compound name
2,7-dipropyl-1,6-dioxaspiro[4.4]nonane
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 151.8
[M+Na]+ 235.16685 157.2
[M-H]- 211.17035 157.8
[M+NH4]+ 230.21145 173.8
[M+K]+ 251.14079 157.4
[M+H-H2O]+ 195.17489 147.7
[M+HCOO]- 257.17583 170.6
[M+CH3COO]- 271.19148 185.9
[M+Na-2H]- 233.15230 154.4
[M]+ 212.17708 151.7
[M]- 212.17818 151.7
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

patents stripe