CID 484443

3625-02-3

Structural Information

Molecular Formula
C20H28O
SMILES
CC(C)C1=C(C=CC2=C1C=C[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h7-10,13,17,21H,6,11-12H2,1-5H3/t17-,20+/m0/s1
InChIKey
PGAVPWXNOKXKIU-FXAWDEMLSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.21402 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.221296 169.7
[M+Na]+ 307.203238 177.1
[M-H]- 283.206744 173.4
[M+NH4]+ 302.247843 191.5
[M+K]+ 323.177178 172.3
[M+H-H2O]+ 267.211280 163.6
[M+HCOO]- 329.212221 183.3
[M+CH3COO]- 343.227871 204.7
[M+Na-2H]- 305.188686 172.8
[M]+ 284.21347142 167.7
[M]- 284.21456858 167.7
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.