CID 84154

14007-09-1

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC1=CC=CC=C1OC(CO)CO

InChI

InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3

InChIKey

DTADPBLDQSWASV-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenoxy)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 20
Patents: 198.0892 Da
Monoisotopic Mass: 0.3
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]+	199.09648	142.0
[M+Na]+	221.07842	152.9
[M+NH4]+	216.12302	149.0
[M+K]+	237.05236	148.3
[M-H]-	197.08192	142.1
[M+Na-2H]-	219.06387	146.9
[M]+	198.08865	143.4
[M]-	198.08975	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe