CID 42608259

Dysokusone d

Structural Information

Molecular Formula
C20H28O2
SMILES
CC1=CC(=O)CC2([C@H]1CC(CC2)/C(=C/C(=O)C=C(C)C)/C)C
InChI
InChI=1S/C20H28O2/c1-13(2)8-17(21)9-14(3)16-6-7-20(5)12-18(22)10-15(4)19(20)11-16/h8-10,16,19H,6-7,11-12H2,1-5H3/b14-9+/t16?,19-,20?/m0/s1
InChIKey
IIKVFKAVHHXLRJ-NMNGSKKXSA-N
Compound name
(4aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 172.4
[M+Na]+ 323.19814 176.6
[M-H]- 299.20164 175.4
[M+NH4]+ 318.24274 190.7
[M+K]+ 339.17208 172.6
[M+H-H2O]+ 283.20618 167.0
[M+HCOO]- 345.20712 185.4
[M+CH3COO]- 359.22277 208.4
[M+Na-2H]- 321.18359 169.8
[M]+ 300.20837 168.7
[M]- 300.20947 168.7
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.