CID 3034462

Cannabinol, tetrahydro-

Structural Information

Molecular Formula

C₂₁H₃₀O₂

SMILES

CCCCCC1=CC2C(C3C=C(C=CC3C(O2)(C)C)C)C(=C1)O

InChI

InChI=1S/C21H30O2/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/h9-13,16-17,19-20,22H,5-8H2,1-4H3

InChIKey

HGPAYXHIEJVIDC-UHFFFAOYSA-N

Compound name

6,6,9-trimethyl-3-pentyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 314.22458 Da
Monoisotopic Mass: 4.6
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]+	315.231856	178.4
[M+Na]+	337.213798	185.5
[M-H]-	313.217304	182.5
[M+NH4]+	332.258403	195.9
[M+K]+	353.187738	181.4
[M+H-H2O]+	297.221840	171.4
[M+HCOO]-	359.222781	191.9
[M+CH3COO]-	373.238431	210.5
[M+Na-2H]-	335.199246	181.2
[M]+	314.22403142	179.4
[M]-	314.22512858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe