CID 484395

Pttjwaqjdjudal-azuaardmsa-n

Structural Information

Molecular Formula
C20H30O
SMILES
CCCC1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H30O/c1-5-7-15-14-8-11-18-19(2,3)12-6-13-20(18,4)16(14)9-10-17(15)21/h9-10,18,21H,5-8,11-13H2,1-4H3/t18-,20+/m0/s1
InChIKey
PTTJWAQJDJUDAL-AZUAARDMSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-1-propyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 171.3
[M+Na]+ 309.21890 178.0
[M-H]- 285.22240 174.5
[M+NH4]+ 304.26350 193.0
[M+K]+ 325.19284 172.7
[M+H-H2O]+ 269.22694 164.9
[M+HCOO]- 331.22788 184.4
[M+CH3COO]- 345.24353 204.2
[M+Na-2H]- 307.20435 174.5
[M]+ 286.22913 168.4
[M]- 286.23023 168.4
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.