CID 12913751

4,7-diaza-1h-indazole

Structural Information

Molecular Formula

C₅H₄N₄

SMILES

C1=CN=C2C(=N1)C=NN2

InChI

InChI=1S/C5H4N4/c1-2-7-5-4(6-1)3-8-9-5/h1-3H,(H,7,8,9)

InChIKey

DDZGQYREBDXECY-UHFFFAOYSA-N

Compound name

1H-pyrazolo[3,4-b]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1315
Patents: 120.043594 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]+	121.05087	119.2
[M+Na]+	143.03281	133.4
[M+NH4]+	138.07742	127.4
[M+K]+	159.00675	129.2
[M-H]-	119.03632	119.1
[M+Na-2H]-	141.01826	127.1
[M]+	120.04305	121.1
[M]-	120.04414	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe