CID 3018229

2-hydroxypropyl salicylate

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CC(COC(=O)C1=CC=CC=C1O)O

InChI

InChI=1S/C10H12O4/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3

InChIKey

CEGJMSLTYGORDN-UHFFFAOYSA-N

Compound name

2-hydroxypropyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 196.07356 Da
Monoisotopic Mass: 2.3
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]+	197.08084	141.4
[M+Na]+	219.06278	152.0
[M+NH4]+	214.10738	148.0
[M+K]+	235.03672	148.1
[M-H]-	195.06628	141.1
[M+Na-2H]-	217.04823	145.8
[M]+	196.07301	142.5
[M]-	196.07411	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe