CID 3057919

Delta(sup 8)-thc sulfate potassium salt

Structural Information

Molecular Formula
C21H30O5S
SMILES
CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)OS(=O)(=O)O
InChI
InChI=1S/C21H30O5S/c1-5-6-7-8-15-12-18-20(19(13-15)26-27(22,23)24)16-11-14(2)9-10-17(16)21(3,4)25-18/h9,12-13,16-17H,5-8,10-11H2,1-4H3,(H,22,23,24)
InChIKey
LLJYZJLJRMOGEK-UHFFFAOYSA-N
Compound name
(6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.1814 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18868 190.6
[M+Na]+ 417.17062 197.4
[M-H]- 393.17412 194.2
[M+NH4]+ 412.21522 204.9
[M+K]+ 433.14456 194.5
[M+H-H2O]+ 377.17866 184.5
[M+HCOO]- 439.17960 198.5
[M+CH3COO]- 453.19525 219.9
[M+Na-2H]- 415.15607 194.2
[M]+ 394.18085 196.8
[M]- 394.18195 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.