CID 63031322

2408962-28-5

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

C1CNCC1C2=NC(=NN2)N

InChI

InChI=1S/C6H11N5/c7-6-9-5(10-11-6)4-1-2-8-3-4/h4,8H,1-3H2,(H3,7,9,10,11)

InChIKey

PUSXMVRYMKLKFB-UHFFFAOYSA-N

Compound name

5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.10144 Da
Monoisotopic Mass: -0.6
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]+	154.10872	131.6
[M+Na]+	176.09066	139.9
[M+NH4]+	171.13526	138.0
[M+K]+	192.06460	139.9
[M-H]-	152.09416	131.3
[M+Na-2H]-	174.07611	135.9
[M]+	153.10089	132.1
[M]-	153.10199	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.