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 192.2
[M+Na]+ 417.17062 203.2
[M+NH4]+ 412.21522 200.4
[M+K]+ 433.14456 193.5
[M-H]- 393.17412 194.3
[M+Na-2H]- 415.15607 195.0
[M]+ 394.18085 195.0
[M]- 394.18195 195.0
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.