CID 2543

Cannabinol

Structural Information

Molecular Formula
C21H26O2
SMILES
CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O
InChI
InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3
InChIKey
VBGLYOIFKLUMQG-UHFFFAOYSA-N
Compound name
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

371
References

15137
Patents

310.19327 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 176.2
[M+Na]+ 333.18249 185.4
[M-H]- 309.18599 181.2
[M+NH4]+ 328.22709 194.1
[M+K]+ 349.15643 181.1
[M+H-H2O]+ 293.19053 169.1
[M+HCOO]- 355.19147 192.7
[M+CH3COO]- 369.20712 209.8
[M+Na-2H]- 331.16794 181.0
[M]+ 310.19272 180.1
[M]- 310.19382 180.1
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.