CID 5161

Salsalate

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)

InChIKey

WVYADZUPLLSGPU-UHFFFAOYSA-N

Compound name

2-(2-hydroxybenzoyl)oxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 229
References: 46627
Patents: 258.05283 Da
Monoisotopic Mass: 3.0
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]+	259.06011	153.8
[M+Na]+	281.04205	161.0
[M-H]-	257.04555	158.4
[M+NH4]+	276.08665	168.8
[M+K]+	297.01599	158.3
[M+H-H2O]+	241.05009	146.8
[M+HCOO]-	303.05103	174.6
[M+CH3COO]-	317.06668	189.3
[M+Na-2H]-	279.02750	157.2
[M]+	258.05228	154.4
[M]-	258.05338	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe