CID 8334

Synhexyl

Structural Information

Molecular Formula

C₂₂H₃₂O₂

SMILES

CCCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O

InChI

InChI=1S/C22H32O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h13-15,23H,5-12H2,1-4H3

InChIKey

OORFXDSWECAQLI-UHFFFAOYSA-N

Compound name

3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 252
Patents: 328.24023 Da
Monoisotopic Mass: 6.2
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	183.0
[M+Na]+	351.229448	189.7
[M-H]-	327.232954	186.9
[M+NH4]+	346.274053	200.0
[M+K]+	367.203388	185.4
[M+H-H2O]+	311.237490	175.8
[M+HCOO]-	373.238431	196.2
[M+CH3COO]-	387.254081	213.5
[M+Na-2H]-	349.214896	185.3
[M]+	328.23968142	184.3
[M]-	328.24077858	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe