CID 16768294

2-amino-1-(4-ethylphenyl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCC1=CC=C(C=C1)C(CN)O

InChI

InChI=1S/C10H15NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3

InChIKey

XIZKPKJTDGAEGJ-UHFFFAOYSA-N

Compound name

2-amino-1-(4-ethylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 165.11537 Da
Monoisotopic Mass: 0.9
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]+	166.122646	137.1
[M+Na]+	188.104588	143.5
[M-H]-	164.108094	138.9
[M+NH4]+	183.149193	156.7
[M+K]+	204.078528	141.0
[M+H-H2O]+	148.112630	131.5
[M+HCOO]-	210.113571	159.5
[M+CH3COO]-	224.129221	179.9
[M+Na-2H]-	186.090036	141.5
[M]+	165.11482142	134.9
[M]-	165.11591858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe