CID 18435423

Methyl 2-(5-formyl-2-methoxyphenoxy)acetate

Structural Information

Molecular Formula

C₁₁H₁₂O₅

SMILES

COC1=C(C=C(C=C1)C=O)OCC(=O)OC

InChI

InChI=1S/C11H12O5/c1-14-9-4-3-8(6-12)5-10(9)16-7-11(13)15-2/h3-6H,7H2,1-2H3

InChIKey

LBMXEPXCERMLOO-UHFFFAOYSA-N

Compound name

methyl 2-(5-formyl-2-methoxyphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.06847 Da
Monoisotopic Mass: 1.2
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]+	225.075746	144.5
[M+Na]+	247.057688	153.0
[M-H]-	223.061194	148.6
[M+NH4]+	242.102293	163.0
[M+K]+	263.031628	152.7
[M+H-H2O]+	207.065730	138.3
[M+HCOO]-	269.066671	169.0
[M+CH3COO]-	283.082321	188.3
[M+Na-2H]-	245.043136	149.3
[M]+	224.06792142	151.1
[M]-	224.06901858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe