CID 432946

1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O
InChI
InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3
InChIKey
ODFCWXVQZAQDSO-UHFFFAOYSA-N
Compound name
1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.22458 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.231856 174.2
[M+Na]+ 325.213798 181.0
[M-H]- 301.217304 176.4
[M+NH4]+ 320.258403 194.7
[M+K]+ 341.187738 176.3
[M+H-H2O]+ 285.221840 168.8
[M+HCOO]- 347.222781 184.9
[M+CH3COO]- 361.238431 206.1
[M+Na-2H]- 323.199246 175.6
[M]+ 302.22403142 170.9
[M]- 302.22512858 170.9
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

patents stripe