CID 111562

68758-69-0

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

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

InChI

InChI=1S/C9H10O4/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,10-11H,1H3

InChIKey

DHPYYPJMQRYNLX-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-(4-hydroxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 182.0579 Da
Monoisotopic Mass: 0.8
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]+	183.06518	137.0
[M+Na]+	205.04712	147.7
[M+NH4]+	200.09172	143.7
[M+K]+	221.02106	144.1
[M-H]-	181.05062	136.7
[M+Na-2H]-	203.03257	141.6
[M]+	182.05735	138.1
[M]-	182.05845	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe