CID 427861

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

Structural Information

Molecular Formula

C₂H₅N₅

SMILES

C1=NNC(=N1)NN

InChI

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

InChIKey

DRPVUJPATHTDNQ-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazol-5-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 99.0545 Da
Monoisotopic Mass: -0.4
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]+	100.061776	114.6
[M+Na]+	122.043718	122.8
[M-H]-	98.047224	112.9
[M+NH4]+	117.088323	133.9
[M+K]+	138.017658	121.2
[M+H-H2O]+	82.051760	106.8
[M+HCOO]-	144.052701	138.2
[M+CH3COO]-	158.068351	165.1
[M+Na-2H]-	120.029166	123.4
[M]+	99.05395142	109.8
[M]-	99.05504858	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe