CID 344720

Methyl 2-methoxy-2-phenylacetate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey

SMHXGVJSDWUGKC-UHFFFAOYSA-N

Compound name

methyl 2-methoxy-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 180.07864 Da
Monoisotopic Mass: 1.7
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]+	181.08592	137.7
[M+Na]+	203.06786	149.5
[M+NH4]+	198.11246	145.6
[M+K]+	219.04180	144.3
[M-H]-	179.07136	139.0
[M+Na-2H]-	201.05331	144.1
[M]+	180.07809	139.6
[M]-	180.07919	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe