CID 164739

Levonordefrin

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N

InChI

InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1

InChIKey

GEFQWZLICWMTKF-CDUCUWFYSA-N

Compound name

4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 275
References: 2161
Patents: 183.08954 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]+	184.09682	139.2
[M+Na]+	206.07876	148.5
[M+NH4]+	201.12336	145.6
[M+K]+	222.05270	145.6
[M-H]-	182.08226	139.2
[M+Na-2H]-	204.06421	142.7
[M]+	183.08899	140.1
[M]-	183.09009	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe