CID 81910

2,5-dimethoxyphenethyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC1=CC(=C(C=C1)OC)CCO

InChI

InChI=1S/C10H14O3/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7,11H,5-6H2,1-2H3

InChIKey

DJYVHWLFFMIWOY-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 182.0943 Da
Monoisotopic Mass: 1.5
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]+	183.101576	137.5
[M+Na]+	205.083518	145.8
[M-H]-	181.087024	140.2
[M+NH4]+	200.128123	157.3
[M+K]+	221.057458	144.4
[M+H-H2O]+	165.091560	132.0
[M+HCOO]-	227.092501	160.9
[M+CH3COO]-	241.108151	180.0
[M+Na-2H]-	203.068966	143.3
[M]+	182.09375142	141.0
[M]-	182.09484858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe