CID 15929155

143114-92-5

Structural Information

Molecular Formula

C₂₁H₃₀O₃

SMILES

CCCCCCCCC1=CC=C(O1)CCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-18-13-14-19(24-18)12-10-17-11-15-20(22)21(16-17)23-2/h11,13-16,22H,3-10,12H2,1-2H3

InChIKey

LUISKKSBOJYGAL-UHFFFAOYSA-N

Compound name

2-methoxy-4-[2-(5-octylfuran-2-yl)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.21948 Da
Monoisotopic Mass: 6.8
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]+	331.226756	183.8
[M+Na]+	353.208698	189.5
[M-H]-	329.212204	189.2
[M+NH4]+	348.253303	198.0
[M+K]+	369.182638	185.9
[M+H-H2O]+	313.216740	176.3
[M+HCOO]-	375.217681	204.8
[M+CH3COO]-	389.233331	209.8
[M+Na-2H]-	351.194146	183.9
[M]+	330.21893142	190.3
[M]-	330.22002858	190.3

Literature stripe

literature stripe

Patent stripe

patents stripe