CID 1237

Normetanephrine

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

COC1=C(C=CC(=C1)C(CN)O)O

InChI

InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3

InChIKey

YNYAYWLBAHXHLL-UHFFFAOYSA-N

Compound name

4-(2-amino-1-hydroxyethyl)-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1531
References: 1623
Patents: 183.08954 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]+	184.09682	138.5
[M+Na]+	206.07876	148.7
[M+NH4]+	201.12336	145.4
[M+K]+	222.05270	144.7
[M-H]-	182.08226	139.2
[M+Na-2H]-	204.06421	143.0
[M]+	183.08899	139.8
[M]-	183.09009	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe