CID 2728743

71290-70-5

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CC1=CC(=NC2=C1C(=O)NN2C)C

InChI

InChI=1S/C9H11N3O/c1-5-4-6(2)10-8-7(5)9(13)11-12(8)3/h4H,1-3H3,(H,11,13)

InChIKey

XQCLUVVQJMLNAW-UHFFFAOYSA-N

Compound name

1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.09021 Da
Monoisotopic Mass: 1.3
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]+	178.09749	135.9
[M+Na]+	200.07943	149.5
[M-H]-	176.08293	136.9
[M+NH4]+	195.12403	155.5
[M+K]+	216.05337	145.2
[M+H-H2O]+	160.08747	129.3
[M+HCOO]-	222.08841	157.5
[M+CH3COO]-	236.10406	180.0
[M+Na-2H]-	198.06488	142.2
[M]+	177.08966	138.9
[M]-	177.09076	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe