CID 484444

Dtxsid901112693

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=C(C=CC2=C1C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey
AYKJSPZJUSBRBO-OXJNMPFZSA-N
Compound name
(4aS,10aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 171.7
[M+Na]+ 323.19814 179.2
[M-H]- 299.20164 175.4
[M+NH4]+ 318.24274 193.0
[M+K]+ 339.17208 174.7
[M+H-H2O]+ 283.20618 166.0
[M+HCOO]- 345.20712 184.2
[M+CH3COO]- 359.22277 207.7
[M+Na-2H]- 321.18359 173.6
[M]+ 300.20837 169.5
[M]- 300.20947 169.5
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