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]+ 303.231856 175.0
[M+Na]+ 325.213798 179.5
[M-H]- 301.217304 176.7
[M+NH4]+ 320.258403 192.9
[M+K]+ 341.187738 174.7
[M+H-H2O]+ 285.221840 170.2
[M+HCOO]- 347.222781 186.8
[M+CH3COO]- 361.238431 205.3
[M+Na-2H]- 323.199246 175.3
[M]+ 302.22403142 171.0
[M]- 302.22512858 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.