CID 1494377

51264-68-7

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

InChI=1S/C11H12O4/c1-2-14-11(13)8-15-10-5-3-4-9(6-10)7-12/h3-7H,2,8H2,1H3

InChIKey

HMBNSDWJNMBKAE-UHFFFAOYSA-N

Compound name

ethyl 2-(3-formylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 208.07356 Da
Monoisotopic Mass: 1.6
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]+	209.08084	144.0
[M+Na]+	231.06278	155.9
[M+NH4]+	226.10738	151.0
[M+K]+	247.03672	150.3
[M-H]-	207.06628	144.7
[M+Na-2H]-	229.04823	149.7
[M]+	208.07301	145.7
[M]-	208.07411	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe