CID 71918

Floverine

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC1=CC(=CC(=C1)OCCO)OC

InChI

InChI=1S/C10H14O4/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11/h5-7,11H,3-4H2,1-2H3

InChIKey

WWCVTBASZDLZAC-UHFFFAOYSA-N

Compound name

2-(3,5-dimethoxyphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 198.0892 Da
Monoisotopic Mass: 1.2
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]+	199.096476	140.4
[M+Na]+	221.078418	148.6
[M-H]-	197.081924	143.0
[M+NH4]+	216.123023	159.4
[M+K]+	237.052358	147.7
[M+H-H2O]+	181.086460	134.5
[M+HCOO]-	243.087401	164.0
[M+CH3COO]-	257.103051	182.1
[M+Na-2H]-	219.063866	146.2
[M]+	198.08865142	145.4
[M]-	198.08974858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe