CID 6917248

2770360-03-5

Structural Information

Molecular Formula

C₅H₅N₅

SMILES

C1=C(C=NC2=NC=NN21)N

InChI

InChI=1S/C5H5N5/c6-4-1-7-5-8-3-9-10(5)2-4/h1-3H,6H2

InChIKey

FOUZBPKQRMUNHA-UHFFFAOYSA-N

Compound name

[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 135.05449 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]+	136.06177	122.7
[M+Na]+	158.04371	134.6
[M-H]-	134.04721	122.5
[M+NH4]+	153.08831	141.7
[M+K]+	174.01765	131.7
[M+H-H2O]+	118.05175	114.5
[M+HCOO]-	180.05269	145.8
[M+CH3COO]-	194.06834	136.8
[M+Na-2H]-	156.02916	133.3
[M]+	135.05394	123.0
[M]-	135.05504	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe