CID 39870222

716362-08-2

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

C1=CN2C(=NC(=N2)CC(=O)O)N=C1

InChI

InChI=1S/C7H6N4O2/c12-6(13)4-5-9-7-8-2-1-3-11(7)10-5/h1-3H,4H2,(H,12,13)

InChIKey

GQLFTNOBABDOLE-UHFFFAOYSA-N

Compound name

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 178.04907 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]+	179.05635	134.3
[M+Na]+	201.03829	147.1
[M+NH4]+	196.08289	140.5
[M+K]+	217.01223	144.4
[M-H]-	177.04179	132.7
[M+Na-2H]-	199.02374	139.9
[M]+	178.04852	135.3
[M]-	178.04962	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe