CID 688009

Oxilofrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

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

InChI

InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1

InChIKey

OXFGTKPPFSCSMA-XVKPBYJWSA-N

Compound name

4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 39
References: 1742
Patents: 181.11028 Da
Monoisotopic Mass: 0.6
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]+	182.117556	140.6
[M+Na]+	204.099498	146.1
[M-H]-	180.103004	141.5
[M+NH4]+	199.144103	158.9
[M+K]+	220.073438	144.2
[M+H-H2O]+	164.107540	134.9
[M+HCOO]-	226.108481	161.2
[M+CH3COO]-	240.124131	181.0
[M+Na-2H]-	202.084946	144.2
[M]+	181.10973142	138.3
[M]-	181.11082858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe