CID 61361423

1674390-01-2

Structural Information

Molecular Formula

C₁₀H₁₂N₄

SMILES

C1=CC=C(C=C1)CC(C2=NC=NN2)N

InChI

InChI=1S/C10H12N4/c11-9(10-12-7-13-14-10)6-8-4-2-1-3-5-8/h1-5,7,9H,6,11H2,(H,12,13,14)

InChIKey

AXMNKOLZLQLXHC-UHFFFAOYSA-N

Compound name

2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.1062 Da
Monoisotopic Mass: 0.9
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]+	189.113476	140.2
[M+Na]+	211.095418	147.0
[M-H]-	187.098924	141.1
[M+NH4]+	206.140023	155.9
[M+K]+	227.069358	143.0
[M+H-H2O]+	171.103460	131.2
[M+HCOO]-	233.104401	160.8
[M+CH3COO]-	247.120051	151.7
[M+Na-2H]-	209.080866	145.9
[M]+	188.10565142	136.1
[M]-	188.10674858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.