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
8
Annotation Hits

368
References

17584
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

literature stripe

Patent stripe

patents stripe