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]+ 285.22130 169.7
[M+Na]+ 307.20324 177.1
[M-H]- 283.20674 173.4
[M+NH4]+ 302.24784 191.5
[M+K]+ 323.17718 172.3
[M+H-H2O]+ 267.21128 163.6
[M+HCOO]- 329.21222 183.3
[M+CH3COO]- 343.22787 204.7
[M+Na-2H]- 305.18869 172.8
[M]+ 284.21347 167.7
[M]- 284.21457 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.