CID 53244246

4-ethyl-1-phenyl-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CCC1=CN(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3

InChIKey

JIHFLRWZBPPLLH-UHFFFAOYSA-N

Compound name

4-ethyl-1-phenyltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 173.09529 Da
Monoisotopic Mass: 2.2
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]+	174.10257	137.0
[M+Na]+	196.08451	151.4
[M+NH4]+	191.12911	145.5
[M+K]+	212.05845	145.9
[M-H]-	172.08801	139.7
[M+Na-2H]-	194.06996	146.3
[M]+	173.09474	139.8
[M]-	173.09584	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe