CID 566597

15795-39-8

Structural Information

Molecular Formula

C₃H₆N₄

SMILES

CN1C(=NC=N1)N

InChI

InChI=1S/C3H6N4/c1-7-3(4)5-2-6-7/h2H,1H3,(H2,4,5,6)

InChIKey

XBTDXUGMCUNQDP-UHFFFAOYSA-N

Compound name

2-methyl-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 98.05925 Da
Monoisotopic Mass: -0.3
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]+	99.066526	115.7
[M+Na]+	121.04847	126.9
[M+NH4]+	116.09307	123.4
[M+K]+	137.02241	124.2
[M-H]-	97.051974	115.8
[M+Na-2H]-	119.03392	121.8
[M]+	98.058701	117.0
[M]-	98.059799	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe