CID 97669

16929-60-5

Structural Information

Molecular Formula

C₁₇H₂₀O₅

SMILES

COC1=CC=CC=C1OCC(COC2=CC=CC=C2OC)O

InChI

InChI=1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3

InChIKey

SSNCGCIXFDVLFP-UHFFFAOYSA-N

Compound name

1,3-bis(2-methoxyphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 304.13107 Da
Monoisotopic Mass: 2.9
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]+	305.13835	170.2
[M+Na]+	327.12029	183.0
[M+NH4]+	322.16489	177.0
[M+K]+	343.09423	176.7
[M-H]-	303.12379	173.1
[M+Na-2H]-	325.10574	177.5
[M]+	304.13052	172.8
[M]-	304.13162	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe