CID 83814464

1215940-71-8

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

C1=C(C2=NNN=C2N=C1)C(=O)O

InChI

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

InChIKey

OVFABHMPDLUKDL-UHFFFAOYSA-N

Compound name

2H-triazolo[4,5-b]pyridine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 164.03343 Da
Monoisotopic Mass: -0.2
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	130.1
[M+Na]+	187.02265	141.2
[M-H]-	163.02615	127.7
[M+NH4]+	182.06725	146.8
[M+K]+	202.99659	137.7
[M+H-H2O]+	147.03069	122.4
[M+HCOO]-	209.03163	149.0
[M+CH3COO]-	223.04728	142.8
[M+Na-2H]-	185.00810	138.4
[M]+	164.03288	130.2
[M]-	164.03398	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe