CID 88965

Ethanol, 2-(1-methyl-3-phenyl-2-triazenyl)-

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CN(CCO)N=NC1=CC=CC=C1

InChI

InChI=1S/C9H13N3O/c1-12(7-8-13)11-10-9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3

InChIKey

UTOPHVHLAPIZON-UHFFFAOYSA-N

Compound name

2-[methyl(phenyldiazenyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 179.10587 Da
Monoisotopic Mass: 1.7
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]+	180.11315	139.1
[M+Na]+	202.09509	149.5
[M+NH4]+	197.13969	147.5
[M+K]+	218.06903	143.2
[M-H]-	178.09859	143.3
[M+Na-2H]-	200.08054	147.1
[M]+	179.10532	141.5
[M]-	179.10642	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe