CID 111357

68758-68-9

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

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

InChI

InChI=1S/C10H12O4/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,11-12H,2H2,1H3

InChIKey

VLOUFSKXRCPIQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 196.07356 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]+	197.08084	141.0
[M+Na]+	219.06278	147.7
[M-H]-	195.06628	142.1
[M+NH4]+	214.10738	158.9
[M+K]+	235.03672	146.3
[M+H-H2O]+	179.07082	135.5
[M+HCOO]-	241.07176	161.3
[M+CH3COO]-	255.08741	178.7
[M+Na-2H]-	217.04823	144.5
[M]+	196.07301	141.6
[M]-	196.07411	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe