CID 198013

Tetrahydrocannabinol acetate

Structural Information

Molecular Formula
C23H32O3
SMILES
CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)OC(=O)C
InChI
InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h12-14,18-19H,6-11H2,1-5H3/t18-,19-/m1/s1
InChIKey
DEWSJDIJFWQLOA-RTBURBONSA-N
Compound name
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

356.23514 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 188.8
[M+Na]+ 379.22436 201.8
[M+NH4]+ 374.26896 198.5
[M+K]+ 395.19830 191.7
[M-H]- 355.22786 193.2
[M+Na-2H]- 377.20981 192.4
[M]+ 356.23459 192.2
[M]- 356.23569 192.2
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

patents stripe