CID 20447459

2-hydroxyphenyl propanoate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CCC(=O)OC1=CC=CC=C1O

InChI

InChI=1S/C9H10O3/c1-2-9(11)12-8-6-4-3-5-7(8)10/h3-6,10H,2H2,1H3

InChIKey

YAPRWCFMWHUXRS-UHFFFAOYSA-N

Compound name

(2-hydroxyphenyl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 946
Patents: 166.06299 Da
Monoisotopic Mass: 1.6
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]+	167.07027	133.4
[M+Na]+	189.05221	145.5
[M+NH4]+	184.09681	141.2
[M+K]+	205.02615	140.2
[M-H]-	165.05571	134.4
[M+Na-2H]-	187.03766	139.5
[M]+	166.06244	135.2
[M]-	166.06354	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe