CID 510093

[(1r,4ar,7r)-1,4a,7-trimethyl-7-vinyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-1-yl]methanol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]1(CCC[C@@]2(C1CCC3C2=CC[C@@](C3)(C)C=C)C)CO
InChI
InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15?,17?,18-,19+,20+/m1/s1
InChIKey
YSFNIVKHYKBKHI-ABZWLXOVSA-N
Compound name
[(1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 172.7
[M+Na]+ 311.234548 177.9
[M-H]- 287.238054 175.1
[M+NH4]+ 306.279153 195.7
[M+K]+ 327.208488 172.5
[M+H-H2O]+ 271.242590 166.5
[M+HCOO]- 333.243531 183.1
[M+CH3COO]- 347.259181 202.9
[M+Na-2H]- 309.219996 175.6
[M]+ 288.24478142 166.3
[M]- 288.24587858 166.3
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.