CID 82555187

2742652-46-4

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

C1=CN2C(=NC(=N2)N)C=C1C(=O)O

InChI

InChI=1S/C7H6N4O2/c8-7-9-5-3-4(6(12)13)1-2-11(5)10-7/h1-3H,(H2,8,10)(H,12,13)

InChIKey

DBWQVQWTRUDSRC-UHFFFAOYSA-N

Compound name

2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 178.04907 Da
Monoisotopic Mass: -0.1
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	133.2
[M+Na]+	201.03829	144.4
[M-H]-	177.04179	133.4
[M+NH4]+	196.08289	151.2
[M+K]+	217.01223	141.4
[M+H-H2O]+	161.04633	125.9
[M+HCOO]-	223.04727	155.2
[M+CH3COO]-	237.06292	178.9
[M+Na-2H]-	199.02374	140.5
[M]+	178.04852	133.8
[M]-	178.04962	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe