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
3
Annotation Hits

150
References

13702
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 183.3
[M+Na]+ 339.22945 193.4
[M+NH4]+ 334.27405 188.9
[M+K]+ 355.20339 186.1
[M-H]- 315.23295 183.5
[M+Na-2H]- 337.21490 185.2
[M]+ 316.23968 184.6
[M]- 316.24078 184.6
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