CID 5315659

Cannabigerol

Structural Information

Molecular Formula
C21H32O2
SMILES
CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
InChIKey
QXACEHWTBCFNSA-SFQUDFHCSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

149
References

12241
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.247506 182.6
[M+Na]+ 339.229448 187.0
[M-H]- 315.232954 182.6
[M+NH4]+ 334.274053 196.5
[M+K]+ 355.203388 181.4
[M+H-H2O]+ 299.237490 176.2
[M+HCOO]- 361.238431 199.0
[M+CH3COO]- 375.254081 208.5
[M+Na-2H]- 337.214896 178.9
[M]+ 316.23968142 184.4
[M]- 316.24077858 184.4
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