CID 11120139

15340-83-7

Structural Information

Molecular Formula
C21H32O
SMILES
CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)OC
InChI
InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21+/m0/s1
InChIKey
DORDKDUSCNWFPJ-GHTZIAJQSA-N
Compound name
(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.252606 174.8
[M+Na]+ 323.234548 181.1
[M-H]- 299.238054 179.3
[M+NH4]+ 318.279153 196.5
[M+K]+ 339.208488 177.1
[M+H-H2O]+ 283.242590 168.1
[M+HCOO]- 345.243531 188.1
[M+CH3COO]- 359.259181 210.5
[M+Na-2H]- 321.219996 176.8
[M]+ 300.24478142 173.4
[M]- 300.24587858 173.4
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.