CID 14632997

Zedoarondiol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC(=C1CC2C(CCC2(C)O)C(CC1=O)(C)O)C
InChI
InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3
InChIKey
TXIKNNOOLCGADE-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

34
Patents

252.17255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 152.4
[M+Na]+ 275.16177 158.5
[M+NH4]+ 270.20637 161.2
[M+K]+ 291.13571 154.3
[M-H]- 251.16527 151.7
[M+Na-2H]- 273.14722 155.3
[M]+ 252.17200 153.0
[M]- 252.17310 153.0
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