CID 421615

1-methyl-1h-1,2,4-triazole-3,5-diamine

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CN1C(=NC(=N1)N)N

InChI

InChI=1S/C3H7N5/c1-8-3(5)6-2(4)7-8/h1H3,(H4,4,5,6,7)

InChIKey

REFNCKLJAUXDRN-UHFFFAOYSA-N

Compound name

1-methyl-1,2,4-triazole-3,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 113.070145 Da
Monoisotopic Mass: -0.7
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]+	114.07742	119.0
[M+Na]+	136.05936	128.9
[M+NH4]+	131.10397	125.9
[M+K]+	152.03330	127.1
[M-H]-	112.06287	119.2
[M+Na-2H]-	134.04481	124.0
[M]+	113.06960	120.0
[M]-	113.07069	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe