CID 89726

Dimethyl 4-hydroxyphthalate

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

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

InChI

InChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3

InChIKey

JJXVDRYFBGDXOU-UHFFFAOYSA-N

Compound name

dimethyl 4-hydroxybenzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2768
Patents: 210.05283 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]+	211.06011	142.7
[M+Na]+	233.04205	153.7
[M+NH4]+	228.08665	148.7
[M+K]+	249.01599	150.2
[M-H]-	209.04555	142.1
[M+Na-2H]-	231.02750	146.9
[M]+	210.05228	143.7
[M]-	210.05338	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe