CID 115783

64049-43-0

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

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

InChI

InChI=1S/C11H16O4/c1-11(13,7-12)8-15-10-5-3-9(14-2)4-6-10/h3-6,12-13H,7-8H2,1-2H3

InChIKey

WZKXTRAAYUOPSE-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenoxy)-2-methylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.10486 Da
Monoisotopic Mass: 0.7
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]+	213.11214	146.5
[M+Na]+	235.09408	153.3
[M-H]-	211.09758	147.5
[M+NH4]+	230.13868	164.0
[M+K]+	251.06802	151.7
[M+H-H2O]+	195.10212	141.1
[M+HCOO]-	257.10306	166.7
[M+CH3COO]-	271.11871	181.8
[M+Na-2H]-	233.07953	152.8
[M]+	212.10431	149.1
[M]-	212.10541	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe