CID 4538

Norfenefrine

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

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

InChI

InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2

InChIKey

LRCXRAABFLIVAI-UHFFFAOYSA-N

Compound name

3-(2-amino-1-hydroxyethyl)phenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 97
References: 2387
Patents: 153.07898 Da
Monoisotopic Mass: -0.8
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]+	154.086256	131.5
[M+Na]+	176.068198	138.2
[M-H]-	152.071704	132.2
[M+NH4]+	171.112803	150.7
[M+K]+	192.042138	135.8
[M+H-H2O]+	136.076240	126.2
[M+HCOO]-	198.077181	153.2
[M+CH3COO]-	212.092831	173.4
[M+Na-2H]-	174.053646	136.4
[M]+	153.07843142	128.1
[M]-	153.07952858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe