CID 217190

Dtxsid10959176

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(C)C1=CC2=CCC3C(CCCC3(C2CC1O)C)C(=O)OC
InChI
InChI=1S/C20H30O3/c1-12(2)15-10-13-7-8-16-14(19(22)23-4)6-5-9-20(16,3)17(13)11-18(15)21/h7,10,12,14,16-18,21H,5-6,8-9,11H2,1-4H3
InChIKey
PWUFHICKPNWPEC-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 178.0
[M+Na]+ 341.20870 182.0
[M-H]- 317.21220 180.4
[M+NH4]+ 336.25330 195.8
[M+K]+ 357.18264 178.6
[M+H-H2O]+ 301.21674 171.7
[M+HCOO]- 363.21768 188.1
[M+CH3COO]- 377.23333 209.6
[M+Na-2H]- 339.19415 177.2
[M]+ 318.21893 174.2
[M]- 318.22003 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.