CID 90658048

Fusicocca-2,10(14)-diene-8beta-ol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@@H]1[C@@H]2CCC(=C2C[C@]3(CCC(=C3CC1O)C(C)C)C)C
InChI
InChI=1S/C20H32O/c1-12(2)15-8-9-20(5)11-17-13(3)6-7-16(17)14(4)19(21)10-18(15)20/h12,14,16,19,21H,6-11H2,1-5H3/t14-,16+,19?,20-/m1/s1
InChIKey
GEUWYELEGQKMOE-GQIMNJFNSA-N
Compound name
(3R,10R,11S)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-dien-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 183.2
[M+Na]+ 311.23455 185.8
[M+NH4]+ 306.27915 186.2
[M+K]+ 327.20849 183.7
[M-H]- 287.23805 183.6
[M+Na-2H]- 309.22000 182.8
[M]+ 288.24478 183.6
[M]- 288.24588 183.6
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

No patent data available for this compound.