CID 567144

4h-1,2,4-triazole-3,4-diamine

Structural Information

Molecular Formula

C₂H₅N₅

SMILES

C1=NN=C(N1N)N

InChI

InChI=1S/C2H5N5/c3-2-6-5-1-7(2)4/h1H,4H2,(H2,3,6)

InChIKey

VVICLQXCPOEFTM-UHFFFAOYSA-N

Compound name

1,2,4-triazole-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 99.0545 Da
Monoisotopic Mass: -1.2
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]+	100.06178	114.3
[M+Na]+	122.04372	124.0
[M+NH4]+	117.08832	121.4
[M+K]+	138.01766	122.3
[M-H]-	98.047224	114.5
[M+Na-2H]-	120.02917	119.9
[M]+	99.053951	115.2
[M]-	99.055049	115.2

Literature stripe

literature stripe

Patent stripe

patents stripe