CID 16788941

Sodium [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

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

InChI

InChI=1S/C6H4N4O2/c11-5(12)4-1-7-6-8-3-9-10(6)2-4/h1-3H,(H,11,12)

InChIKey

DNDMEGOVRGBLSK-UHFFFAOYSA-N

Compound name

[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 164.03343 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]+	165.04071	129.8
[M+Na]+	187.02265	142.8
[M+NH4]+	182.06725	136.2
[M+K]+	202.99659	140.4
[M-H]-	163.02615	128.3
[M+Na-2H]-	185.00810	135.7
[M]+	164.03288	130.9
[M]-	164.03398	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe