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]+ 289.252606 188.7
[M+Na]+ 311.234548 193.3
[M-H]- 287.238054 190.5
[M+NH4]+ 306.279153 198.9
[M+K]+ 327.208488 191.6
[M+H-H2O]+ 271.242590 185.2
[M+HCOO]- 333.243531 194.5
[M+CH3COO]- 347.259181 232.0
[M+Na-2H]- 309.219996 182.7
[M]+ 288.24478142 187.2
[M]- 288.24587858 187.2
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.