CID 14271034

8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCC1CCCC2(O1)CCCC(O2)C
InChI
InChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKey
QXUAOIHBLJZVTQ-UHFFFAOYSA-N
Compound name
8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

212.17763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 150.9
[M+Na]+ 235.166848 154.5
[M-H]- 211.170354 156.5
[M+NH4]+ 230.211453 169.2
[M+K]+ 251.140788 155.2
[M+H-H2O]+ 195.174890 144.8
[M+HCOO]- 257.175831 165.5
[M+CH3COO]- 271.191481 186.4
[M+Na-2H]- 233.152296 156.2
[M]+ 212.17708142 146.6
[M]- 212.17817858 146.6
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