CID 167577

Delta 9-11 thc

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=CC(=C2[C@@H]3CC(=C)CC[C@H]3C(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/h12-13,16-17,22H,2,5-11H2,1,3-4H3/t16-,17-/m1/s1
InChIKey
AOYYFUGUUIRBML-IAGOWNOFSA-N
Compound name
(6aR,10aR)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

238
Patents

314.22458 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 178.0
[M+Na]+ 337.21380 184.4
[M-H]- 313.21730 181.7
[M+NH4]+ 332.25840 195.4
[M+K]+ 353.18774 179.9
[M+H-H2O]+ 297.22184 171.2
[M+HCOO]- 359.22278 190.3
[M+CH3COO]- 373.23843 210.2
[M+Na-2H]- 335.19925 180.0
[M]+ 314.22403 176.9
[M]- 314.22513 176.9
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