CID 61054

4-methoxybenzyl formate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3

InChIKey

XPDORSROGAZEGY-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl formate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 18810
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.07027	132.5
[M+Na]+	189.05221	145.6
[M+NH4]+	184.09681	140.8
[M+K]+	205.02615	139.2
[M-H]-	165.05571	134.3
[M+Na-2H]-	187.03766	139.7
[M]+	166.06244	134.8
[M]-	166.06354	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe