CID 106791

1,5-dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)-

Structural Information

Molecular Formula
C13H24O3
SMILES
CC1CCC(C2(C1)OCC(CO2)O)C(C)C
InChI
InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-7-11(14)8-16-13/h9-12,14H,4-8H2,1-3H3
InChIKey
GECFTYLLVUKXOY-UHFFFAOYSA-N
Compound name
8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

228.17255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 154.5
[M+Na]+ 251.16177 158.3
[M-H]- 227.16527 159.1
[M+NH4]+ 246.20637 171.6
[M+K]+ 267.13571 159.2
[M+H-H2O]+ 211.16981 149.0
[M+HCOO]- 273.17075 166.7
[M+CH3COO]- 287.18640 188.1
[M+Na-2H]- 249.14722 157.7
[M]+ 228.17200 149.7
[M]- 228.17310 149.7
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