CID 90465

P-methoxybenzyl p-anisate

Structural Information

Molecular Formula

C₁₆H₁₆O₄

SMILES

COC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H16O4/c1-18-14-7-3-12(4-8-14)11-20-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

InChIKey

PUXJRQHDLYGOCY-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl 4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 272.10486 Da
Monoisotopic Mass: 3.9
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]+	273.112136	160.8
[M+Na]+	295.094078	168.1
[M-H]-	271.097584	167.6
[M+NH4]+	290.138683	176.9
[M+K]+	311.068018	166.1
[M+H-H2O]+	255.102120	152.8
[M+HCOO]-	317.103061	184.5
[M+CH3COO]-	331.118711	197.8
[M+Na-2H]-	293.079526	165.1
[M]+	272.10431142	165.6
[M]-	272.10540858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe