CID 690034

117048-44-9

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

COC(=O)COC1=CC=C(C=C1)CO

InChI

InChI=1S/C10H12O4/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5,11H,6-7H2,1H3

InChIKey

KHUZRBIZTBWIIR-UHFFFAOYSA-N

Compound name

methyl 2-[4-(hydroxymethyl)phenoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 196.07356 Da
Monoisotopic Mass: 0.5
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	140.9
[M+Na]+	219.06278	152.4
[M+NH4]+	214.10738	147.9
[M+K]+	235.03672	147.4
[M-H]-	195.06628	141.3
[M+Na-2H]-	217.04823	146.3
[M]+	196.07301	142.4
[M]-	196.07411	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe