CID 561337

Benzyl 2-hydroxyacetate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1=CC=C(C=C1)COC(=O)CO

InChI

InChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2

InChIKey

VPYJBEIOKFRWQZ-UHFFFAOYSA-N

Compound name

benzyl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 899
Patents: 166.06299 Da
Monoisotopic Mass: 1.3
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]+	167.07027	133.9
[M+Na]+	189.05221	145.7
[M+NH4]+	184.09681	141.7
[M+K]+	205.02615	140.1
[M-H]-	165.05571	134.8
[M+Na-2H]-	187.03766	140.2
[M]+	166.06244	135.7
[M]-	166.06354	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe