CID 53802961

Methoxy-thc

Structural Information

Molecular Formula

C₂₂H₃₂O₂

SMILES

CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)OC

InChI

InChI=1S/C22H32O2/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/h12-14,17-18H,6-11H2,1-5H3

InChIKey

FJRQDVCLUUZSIG-UHFFFAOYSA-N

Compound name

1-methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.24023 Da
Monoisotopic Mass: 7.3
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]+	329.247506	182.5
[M+Na]+	351.229448	189.6
[M-H]-	327.232954	187.8
[M+NH4]+	346.274053	200.1
[M+K]+	367.203388	186.1
[M+H-H2O]+	311.237490	174.9
[M+HCOO]-	373.238431	197.2
[M+CH3COO]-	387.254081	215.9
[M+Na-2H]-	349.214896	185.2
[M]+	328.23968142	185.6
[M]-	328.24077858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe