CID 3306

Etilefrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCNCC(C1=CC(=CC=C1)O)O

InChI

InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3

InChIKey

SQVIAVUSQAWMKL-UHFFFAOYSA-N

Compound name

3-[2-(ethylamino)-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 272
References: 3964
Patents: 181.11028 Da
Monoisotopic Mass: 0.1
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	140.1
[M+Na]+	204.099498	145.9
[M-H]-	180.103004	141.0
[M+NH4]+	199.144103	158.5
[M+K]+	220.073438	143.4
[M+H-H2O]+	164.107540	134.4
[M+HCOO]-	226.108481	161.8
[M+CH3COO]-	240.124131	180.1
[M+Na-2H]-	202.084946	145.0
[M]+	181.10973142	138.4
[M]-	181.11082858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe