CID 459259

2-(4-amino-3-methylphenoxy)ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC1=C(C=CC(=C1)OCCO)N

InChI

InChI=1S/C9H13NO2/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6,11H,4-5,10H2,1H3

InChIKey

NWASPLRNFPQETR-UHFFFAOYSA-N

Compound name

2-(4-amino-3-methylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 167.09464 Da
Monoisotopic Mass: 0.5
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]+	168.10192	134.6
[M+Na]+	190.08386	146.3
[M+NH4]+	185.12846	142.7
[M+K]+	206.05780	140.6
[M-H]-	166.08736	136.6
[M+Na-2H]-	188.06931	140.6
[M]+	167.09409	136.7
[M]-	167.09519	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe