CID 13045210

87253-82-5

Structural Information

Molecular Formula

C₃H₇N₅

SMILES

CNC1=NNC(=N1)N

InChI

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

InChIKey

IDPVERHXDUGTRN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 113.070145 Da
Monoisotopic Mass: 0.0
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	119.1
[M+Na]+	136.05936	128.3
[M+NH4]+	131.10397	125.8
[M+K]+	152.03330	126.5
[M-H]-	112.06287	118.8
[M+Na-2H]-	134.04481	124.2
[M]+	113.06960	119.8
[M]-	113.07069	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe