CID 820971

Dimethyl 2,5-dihydroxyterephthalate

Structural Information

Molecular Formula

C₁₀H₁₀O₆

SMILES

COC(=O)C1=CC(=C(C=C1O)C(=O)OC)O

InChI

InChI=1S/C10H10O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H,1-2H3

InChIKey

WABMHCVYKWKAAH-UHFFFAOYSA-N

Compound name

dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 321
Patents: 226.04774 Da
Monoisotopic Mass: 2.0
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]+	227.05502	145.8
[M+Na]+	249.03696	156.2
[M+NH4]+	244.08156	150.9
[M+K]+	265.01090	153.8
[M-H]-	225.04046	144.3
[M+Na-2H]-	247.02241	148.8
[M]+	226.04719	146.4
[M]-	226.04829	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe