CID 1494380

Methyl (3-formylphenoxy)acetate

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

InChI=1S/C10H10O4/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3

InChIKey

AYMQCLGUHSIDFY-UHFFFAOYSA-N

Compound name

methyl 2-(3-formylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 194.0579 Da
Monoisotopic Mass: 0.9
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]+	195.06518	139.5
[M+Na]+	217.04712	151.6
[M+NH4]+	212.09172	146.7
[M+K]+	233.02106	146.2
[M-H]-	193.05062	140.2
[M+Na-2H]-	215.03257	145.5
[M]+	194.05735	141.3
[M]-	194.05845	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe