CID 136651683

1380447-77-7

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

CC1=NN(C2=C1C(=CC(=O)N2)O)C

InChI

InChI=1S/C8H9N3O2/c1-4-7-5(12)3-6(13)9-8(7)11(2)10-4/h3H,1-2H3,(H2,9,12,13)

InChIKey

PRGBOEWVCGDIKT-UHFFFAOYSA-N

Compound name

4-hydroxy-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.06947 Da
Monoisotopic Mass: -0.3
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]+	180.076746	135.2
[M+Na]+	202.058688	148.6
[M-H]-	178.062194	135.0
[M+NH4]+	197.103293	153.9
[M+K]+	218.032628	144.3
[M+H-H2O]+	162.066730	128.9
[M+HCOO]-	224.067671	155.8
[M+CH3COO]-	238.083321	176.7
[M+Na-2H]-	200.044136	141.5
[M]+	179.06892142	137.4
[M]-	179.07001858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe