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

18
Patents

286.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 169.0
[M+Na]+ 309.18249 177.1
[M-H]- 285.18599 173.6
[M+NH4]+ 304.22709 187.8
[M+K]+ 325.15643 173.5
[M+H-H2O]+ 269.19053 162.5
[M+HCOO]- 331.19147 183.3
[M+CH3COO]- 345.20712 204.6
[M+Na-2H]- 307.16794 173.0
[M]+ 286.19272 169.4
[M]- 286.19382 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.