CID 66276003

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

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

C1CCN(C1)C2=NNC(=N2)N

InChI

InChI=1S/C6H11N5/c7-5-8-6(10-9-5)11-3-1-2-4-11/h1-4H2,(H3,7,8,9,10)

InChIKey

KAMUXTGRBIHCDT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
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	131.4
[M+Na]+	176.09066	140.3
[M+NH4]+	171.13526	138.1
[M+K]+	192.06460	139.9
[M-H]-	152.09416	131.6
[M+Na-2H]-	174.07611	136.3
[M]+	153.10089	132.2
[M]-	153.10199	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe