CID 45114263

167820-07-7

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

COC1=CC=CC=C1[C@H](C(=O)OC)O

InChI

InChI=1S/C10H12O4/c1-13-8-6-4-3-5-7(8)9(11)10(12)14-2/h3-6,9,11H,1-2H3/t9-/m1/s1

InChIKey

KFHNZFDETCOCCF-SECBINFHSA-N

Compound name

methyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 196.07356 Da
Monoisotopic Mass: 1.1
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	140.8
[M+Na]+	219.06278	151.9
[M+NH4]+	214.10738	147.7
[M+K]+	235.03672	147.8
[M-H]-	195.06628	141.0
[M+Na-2H]-	217.04823	145.9
[M]+	196.07301	142.2
[M]-	196.07411	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe