CID 3082324

Propyl-delta(8)-tetrahydrocannabinol

Structural Information

Molecular Formula
C19H26O2
SMILES
CCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O
InChI
InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7,10-11,14-15,20H,5-6,8-9H2,1-4H3/t14-,15-/m1/s1
InChIKey
CDBDULHNWQRYSY-HUUCEWRRSA-N
Compound name
(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

286.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.200546 169.0
[M+Na]+ 309.182488 177.1
[M-H]- 285.185994 173.6
[M+NH4]+ 304.227093 187.8
[M+K]+ 325.156428 173.5
[M+H-H2O]+ 269.190530 162.5
[M+HCOO]- 331.191471 183.3
[M+CH3COO]- 345.207121 204.6
[M+Na-2H]- 307.167936 173.0
[M]+ 286.19272142 169.4
[M]- 286.19381858 169.4
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