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 188.7
[M+Na]+ 311.23455 193.3
[M-H]- 287.23805 190.5
[M+NH4]+ 306.27915 198.9
[M+K]+ 327.20849 191.6
[M+H-H2O]+ 271.24259 185.2
[M+HCOO]- 333.24353 194.5
[M+CH3COO]- 347.25918 232.0
[M+Na-2H]- 309.22000 182.7
[M]+ 288.24478 187.2
[M]- 288.24588 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.