CID 171120120

Dysokusone e

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1=CC(=O)CC2([C@H]1CC(CC2)/C(=C/C=C/C(C)(C)O)/C)C
InChI
InChI=1S/C20H30O2/c1-14(7-6-9-19(3,4)22)16-8-10-20(5)13-17(21)11-15(2)18(20)12-16/h6-7,9,11,16,18,22H,8,10,12-13H2,1-5H3/b9-6+,14-7+/t16?,18-,20?/m0/s1
InChIKey
BQQIWANTQQHPOM-ODMBRUCFSA-N
Compound name
(4aR)-6-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.0
[M+Na]+ 325.21380 179.5
[M-H]- 301.21730 176.7
[M+NH4]+ 320.25840 192.9
[M+K]+ 341.18774 174.7
[M+H-H2O]+ 285.22184 170.2
[M+HCOO]- 347.22278 186.8
[M+CH3COO]- 361.23843 205.3
[M+Na-2H]- 323.19925 175.3
[M]+ 302.22403 171.0
[M]- 302.22513 171.0
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.