CID 10742

Syringic acid

Structural Information

Molecular Formula

C₉H₁₀O₅

SMILES

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

InChI

InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

InChIKey

JMSVCTWVEWCHDZ-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5-dimethoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 538
References: 12004
Patents: 198.05283 Da
Monoisotopic Mass: 1.0
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]+	199.06011	137.2
[M+Na]+	221.04205	146.2
[M-H]-	197.04555	139.1
[M+NH4]+	216.08665	155.6
[M+K]+	237.01599	145.3
[M+H-H2O]+	181.05009	132.0
[M+HCOO]-	243.05103	159.0
[M+CH3COO]-	257.06668	180.1
[M+Na-2H]-	219.02750	141.2
[M]+	198.05228	140.4
[M]-	198.05338	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe