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]+ 301.25261 174.8
[M+Na]+ 323.23455 181.1
[M-H]- 299.23805 179.3
[M+NH4]+ 318.27915 196.5
[M+K]+ 339.20849 177.1
[M+H-H2O]+ 283.24259 168.1
[M+HCOO]- 345.24353 188.1
[M+CH3COO]- 359.25918 210.5
[M+Na-2H]- 321.22000 176.8
[M]+ 300.24478 173.4
[M]- 300.24588 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.