CID 11432

584-13-4

Structural Information

Molecular Formula

C₂H₄N₄

SMILES

C1=NN=CN1N

InChI

InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2

InChIKey

FMCUPJKTGNBGEC-UHFFFAOYSA-N

Compound name

1,2,4-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 33
References: 4946
Patents: 84.043594 Da
Monoisotopic Mass: -0.8
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]+	85.050870	111.1
[M+Na]+	107.032812	120.6
[M-H]-	83.036318	110.6
[M+NH4]+	102.077417	132.1
[M+K]+	123.006752	120.1
[M+H-H2O]+	67.040854	103.6
[M+HCOO]-	129.041795	135.1
[M+CH3COO]-	143.057445	162.7
[M+Na-2H]-	105.018260	119.9
[M]+	84.04304542	108.9
[M]-	84.04414258	108.9

Literature stripe

literature stripe

Patent stripe

patents stripe