CID 9861658

Delta3-tetrahydrocannabinol

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,22H,5-11H2,1-4H3
InChIKey
NEBZNJDFIPBXCS-UHFFFAOYSA-N
Compound name
6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

59
Patents

314.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 178.4
[M+Na]+ 337.213798 185.5
[M-H]- 313.217304 182.5
[M+NH4]+ 332.258403 195.9
[M+K]+ 353.187738 181.4
[M+H-H2O]+ 297.221840 171.4
[M+HCOO]- 359.222781 191.9
[M+CH3COO]- 373.238431 210.5
[M+Na-2H]- 335.199246 181.2
[M]+ 314.22403142 179.4
[M]- 314.22512858 179.4
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.