CID 85034

24858-54-6

Structural Information

Molecular Formula

C₉H₁₂N₃O

SMILES

CN(CCO)C1=CC=C(C=C1)[N+]#N

InChI

InChI=1S/C9H12N3O/c1-12(6-7-13)9-4-2-8(11-10)3-5-9/h2-5,13H,6-7H2,1H3/q+1

InChIKey

AUVJBAFMBDUKMJ-UHFFFAOYSA-N

Compound name

4-[2-hydroxyethyl(methyl)amino]benzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 178.09804 Da
Monoisotopic Mass: 2.0
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]+	179.10532	139.7
[M+Na]+	201.08726	152.2
[M+NH4]+	196.13186	145.6
[M+K]+	217.06120	143.9
[M-H]-	177.09076	137.2
[M+Na-2H]-	199.07271	145.2
[M]+	178.09749	140.2
[M]-	178.09859	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe