CID 3202

Edrophonium

Structural Information

Molecular Formula

C₁₀H₁₆NO

SMILES

CC[N+](C)(C)C1=CC(=CC=C1)O

InChI

InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1

InChIKey

VWLHWLSRQJQWRG-UHFFFAOYSA-O

Compound name

ethyl-(3-hydroxyphenyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1206
References: 52035
Patents: 166.12318 Da
Monoisotopic Mass: 1.8
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]+	167.13046	133.6
[M+Na]+	189.11240	148.1
[M+NH4]+	184.15700	143.9
[M+K]+	205.08634	142.4
[M-H]-	165.11590	138.2
[M+Na-2H]-	187.09785	142.4
[M]+	166.12263	137.5
[M]-	166.12373	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe