CID 561764

Methyl 2-(benzyloxy)propanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C(=O)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C11H14O3/c1-9(11(12)13-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

VYUWVGDHZQNXOP-UHFFFAOYSA-N

Compound name

methyl 2-phenylmethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 194.0943 Da
Monoisotopic Mass: 1.9
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]+	195.10158	142.2
[M+Na]+	217.08352	153.8
[M+NH4]+	212.12812	149.9
[M+K]+	233.05746	148.3
[M-H]-	193.08702	143.4
[M+Na-2H]-	215.06897	148.3
[M]+	194.09375	144.1
[M]-	194.09485	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe