CID 297396

Ethyl 2,5-dihydroxyphenylacetate

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CCOC(=O)CC1=C(C=CC(=C1)O)O

InChI

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

InChIKey

QTMILHTUDCGNJF-UHFFFAOYSA-N

Compound name

ethyl 2-(2,5-dihydroxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 196.07356 Da
Monoisotopic Mass: 1.4
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	141.1
[M+Na]+	219.06278	152.3
[M+NH4]+	214.10738	147.7
[M+K]+	235.03672	147.9
[M-H]-	195.06628	141.0
[M+Na-2H]-	217.04823	145.6
[M]+	196.07301	142.4
[M]-	196.07411	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe