CID 15458631

3-hydroxy-5-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula

C₉H₈O₅

SMILES

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

InChI

InChI=1S/C9H8O5/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4,10H,1H3,(H,11,12)

InChIKey

GWUUUIMPMKEIAZ-UHFFFAOYSA-N

Compound name

3-hydroxy-5-methoxycarbonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 196.03717 Da
Monoisotopic Mass: 1.5
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]+	197.04445	138.7
[M+Na]+	219.02639	149.4
[M+NH4]+	214.07099	144.5
[M+K]+	235.00033	146.5
[M-H]-	195.02989	137.7
[M+Na-2H]-	217.01184	142.6
[M]+	196.03662	139.5
[M]-	196.03772	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe