CID 162184

Menthone 1,2-glycerol ketal

Structural Information

Molecular Formula
C13H24O3
SMILES
CC1CCC(C2(C1)OCC(O2)CO)C(C)C
InChI
InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3
InChIKey
ZBJCYZPANVLBRK-UHFFFAOYSA-N
Compound name
(9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

3860
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 154.7
[M+Na]+ 251.16177 159.4
[M-H]- 227.16527 159.5
[M+NH4]+ 246.20637 173.7
[M+K]+ 267.13571 159.8
[M+H-H2O]+ 211.16981 150.3
[M+HCOO]- 273.17075 169.1
[M+CH3COO]- 287.18640 187.5
[M+Na-2H]- 249.14722 156.5
[M]+ 228.17200 151.9
[M]- 228.17310 151.9
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