CID 70164

Methyl syringate

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OC

InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3

InChIKey

ZMXJAEGJWHJMGX-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-3,5-dimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 45
References: 1526
Patents: 212.06847 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]+	213.075746	141.2
[M+Na]+	235.057688	150.3
[M-H]-	211.061194	144.4
[M+NH4]+	230.102293	159.9
[M+K]+	251.031628	150.1
[M+H-H2O]+	195.065730	135.6
[M+HCOO]-	257.066671	164.3
[M+CH3COO]-	271.082321	184.9
[M+Na-2H]-	233.043136	145.3
[M]+	212.06792142	146.7
[M]-	212.06901858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe