CID 628150

Cannabinol methyl ether

Structural Information

Molecular Formula

C₂₂H₂₈O₂

SMILES

CCCCCC1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C)C(O2)(C)C

InChI

InChI=1S/C22H28O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10-14H,6-9H2,1-5H3

InChIKey

YEDIZIGYIMTZKP-UHFFFAOYSA-N

Compound name

1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 479
Patents: 324.20892 Da
Monoisotopic Mass: 6.4
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]+	325.216196	180.4
[M+Na]+	347.198138	189.6
[M-H]-	323.201644	186.6
[M+NH4]+	342.242743	198.4
[M+K]+	363.172078	185.9
[M+H-H2O]+	307.206180	172.7
[M+HCOO]-	369.207121	198.1
[M+CH3COO]-	383.222771	215.2
[M+Na-2H]-	345.183586	185.1
[M]+	324.20837142	186.4
[M]-	324.20946858	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe