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: 147
References: 14052
Patents: 316.24023 Da
Monoisotopic Mass: 7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.24751	182.6
[M+Na]+	339.22945	187.0
[M-H]-	315.23295	182.6
[M+NH4]+	334.27405	196.5
[M+K]+	355.20339	181.4
[M+H-H2O]+	299.23749	176.2
[M+HCOO]-	361.23843	199.0
[M+CH3COO]-	375.25408	208.5
[M+Na-2H]-	337.21490	178.9
[M]+	316.23968	184.4
[M]-	316.24078	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe