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

6
Annotation Hits: 3
References: 19939
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]+	167.070266	131.2
[M+Na]+	189.052208	139.8
[M-H]-	165.055714	135.2
[M+NH4]+	184.096813	152.0
[M+K]+	205.026148	139.0
[M+H-H2O]+	149.060250	125.5
[M+HCOO]-	211.061191	156.8
[M+CH3COO]-	225.076841	177.6
[M+Na-2H]-	187.037656	138.9
[M]+	166.06244142	135.2
[M]-	166.06353858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe