CID 3350629

15254-26-9

Structural Information

Molecular Formula
C18H24O2
SMILES
CC1=C(CC2C(C1)C(=O)C3CC(=C(CC3C2=O)C)C)C
InChI
InChI=1S/C18H24O2/c1-9-5-13-14(6-10(9)2)18(20)16-8-12(4)11(3)7-15(16)17(13)19/h13-16H,5-8H2,1-4H3
InChIKey
XGVLKZBDQXJEBB-UHFFFAOYSA-N
Compound name
2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9a,10a-octahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

272.17764 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 162.5
[M+Na]+ 295.166858 170.5
[M-H]- 271.170364 167.6
[M+NH4]+ 290.211463 181.9
[M+K]+ 311.140798 166.0
[M+H-H2O]+ 255.174900 156.4
[M+HCOO]- 317.175841 176.9
[M+CH3COO]- 331.191491 206.3
[M+Na-2H]- 293.152306 162.6
[M]+ 272.17709142 159.9
[M]- 272.17818858 159.9
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