CID 57415857

3-methyl-1h-pyrazolo[3,4-b]pyrazine

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

CC1=C2C(=NN1)N=CC=N2

InChI

InChI=1S/C6H6N4/c1-4-5-6(10-9-4)8-3-2-7-5/h2-3H,1H3,(H,8,9,10)

InChIKey

QIXKPYPWMQXIGY-UHFFFAOYSA-N

Compound name

3-methyl-2H-pyrazolo[3,4-b]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 134.05925 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]+	135.06653	123.9
[M+Na]+	157.04847	138.2
[M+NH4]+	152.09307	131.9
[M+K]+	173.02241	133.9
[M-H]-	133.05197	123.8
[M+Na-2H]-	155.03392	131.2
[M]+	134.05870	125.8
[M]-	134.05980	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe