CID 12295187

30132-90-2

Structural Information

Molecular Formula

C₂H₄N₄

SMILES

C1=NNN=C1N

InChI

InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)

InChIKey

JSIAIROWMJGMQZ-UHFFFAOYSA-N

Compound name

2H-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 149
References: 12050
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	111.9
[M+Na]+	107.03281	121.0
[M-H]-	83.036318	110.1
[M+NH4]+	102.07742	132.1
[M+K]+	123.00675	119.5
[M+H-H2O]+	67.040854	104.6
[M+HCOO]-	129.04180	134.4
[M+CH3COO]-	143.05744	160.1
[M+Na-2H]-	105.01826	120.2
[M]+	84.043045	107.8
[M]-	84.044143	107.8

Literature stripe

literature stripe

Patent stripe

patents stripe