CID 586419

4-ethoxy-3-methoxyphenethyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CCOC1=C(C=C(C=C1)CCO)OC

InChI

InChI=1S/C11H16O3/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8,12H,3,6-7H2,1-2H3

InChIKey

XYPMGJKFSRTMFY-UHFFFAOYSA-N

Compound name

2-(4-ethoxy-3-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 196.10994 Da
Monoisotopic Mass: 1.4
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]+	197.11722	142.4
[M+Na]+	219.09916	154.8
[M+NH4]+	214.14376	150.3
[M+K]+	235.07310	148.5
[M-H]-	195.10266	143.8
[M+Na-2H]-	217.08461	148.3
[M]+	196.10939	144.5
[M]-	196.11049	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe