CID 108375

2-methoxyphenyl lactate

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CC(C(=O)OC1=CC=CC=C1OC)O

InChI

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

InChIKey

FUSJIKIVYFVQHX-UHFFFAOYSA-N

Compound name

(2-methoxyphenyl) 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	197.080836	140.2
[M+Na]+	219.062778	147.4
[M-H]-	195.066284	142.8
[M+NH4]+	214.107383	158.9
[M+K]+	235.036718	146.9
[M+H-H2O]+	179.070820	134.5
[M+HCOO]-	241.071761	162.1
[M+CH3COO]-	255.087411	181.2
[M+Na-2H]-	217.048226	144.3
[M]+	196.07301142	142.8
[M]-	196.07410858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe