CID 7428

Methyl gallate

Structural Information

Molecular Formula

C₈H₈O₅

SMILES

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

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChIKey

FBSFWRHWHYMIOG-UHFFFAOYSA-N

Compound name

methyl 3,4,5-trihydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 298
References: 11576
Patents: 184.03717 Da
Monoisotopic Mass: 0.9
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]+	185.04445	135.4
[M+Na]+	207.02639	146.4
[M+NH4]+	202.07099	141.4
[M+K]+	223.00033	143.4
[M-H]-	183.02989	134.3
[M+Na-2H]-	205.01184	139.1
[M]+	184.03662	136.3
[M]-	184.03772	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe