CID 18147

3-hydroxyephedrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(C(C1=CC(=CC=C1)O)O)NC

InChI

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

InChIKey

KEEFJRKWMCQJLN-UHFFFAOYSA-N

Compound name

3-[1-hydroxy-2-(methylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 101
References: 74
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]+	182.11756	140.6
[M+Na]+	204.09950	146.1
[M-H]-	180.10300	141.5
[M+NH4]+	199.14410	158.9
[M+K]+	220.07344	144.2
[M+H-H2O]+	164.10754	134.9
[M+HCOO]-	226.10848	161.2
[M+CH3COO]-	240.12413	181.0
[M+Na-2H]-	202.08495	144.2
[M]+	181.10973	138.3
[M]-	181.11083	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe