CID 6880

2-hydroxyethyl salicylate

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

C1=CC=C(C(=C1)C(=O)OCCO)O

InChI

InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2

InChIKey

LVYLCBNXHHHPSB-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 22
References: 16007
Patents: 182.0579 Da
Monoisotopic Mass: 1.9
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]+	183.06518	137.0
[M+Na]+	205.04712	148.1
[M+NH4]+	200.09172	143.8
[M+K]+	221.02106	143.6
[M-H]-	181.05062	136.9
[M+Na-2H]-	203.03257	142.0
[M]+	182.05735	138.2
[M]-	182.05845	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe