CID 23391230

6bzomeop

Structural Information

Molecular Formula

C₂₀H₂₄O₃

SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H24O3/c1-3-4-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(22-2)13-15-19/h8-15H,3-7H2,1-2H3

InChIKey

WIWHDNZKRSNRJR-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl) 4-hexylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 312.17255 Da
Monoisotopic Mass: 6.3
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]+	313.17983	176.4
[M+Na]+	335.16177	182.1
[M-H]-	311.16527	182.4
[M+NH4]+	330.20637	190.9
[M+K]+	351.13571	178.4
[M+H-H2O]+	295.16981	167.8
[M+HCOO]-	357.17075	198.5
[M+CH3COO]-	371.18640	207.7
[M+Na-2H]-	333.14722	178.5
[M]+	312.17200	181.1
[M]-	312.17310	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe