CID 129632124

3,4-dihydroxynorephedrine

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](CO)NO)O

InChI

InChI=1S/C9H13NO3/c11-6-8(10-13)9(12)7-4-2-1-3-5-7/h1-5,8-13H,6H2/t8-,9+/m1/s1

InChIKey

AVPNJBHFGRDPSQ-BDAKNGLRSA-N

Compound name

(1S,2R)-2-(hydroxyamino)-1-phenylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 243
References: 0
Patents: 183.08954 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]+	184.09682	139.6
[M+Na]+	206.07876	148.4
[M+NH4]+	201.12336	146.2
[M+K]+	222.05270	144.9
[M-H]-	182.08226	139.6
[M+Na-2H]-	204.06421	144.0
[M]+	183.08899	140.4
[M]-	183.09009	140.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.