CID 131751394

Absindiol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1CC(C2C(C(=O)OC2C3C1CC(C3=C)O)C)O
InChI
InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3
InChIKey
IBIJTDJAWRYXRF-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 160.8
[M+Na]+ 289.14102 166.8
[M+NH4]+ 284.18562 167.1
[M+K]+ 305.11496 167.8
[M-H]- 265.14452 161.3
[M+Na-2H]- 287.12647 157.8
[M]+ 266.15125 161.4
[M]- 266.15235 161.4
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

No patent data available for this compound.