CID 45121399

71233-24-4

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CN1C2=C(CCNC2)C(=O)N1

InChI

InChI=1S/C7H11N3O/c1-10-6-4-8-3-2-5(6)7(11)9-10/h8H,2-4H2,1H3,(H,9,11)

InChIKey

LJBDMFLWAOHEMP-UHFFFAOYSA-N

Compound name

1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 153.09021 Da
Monoisotopic Mass: -0.7
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]+	154.09749	132.0
[M+Na]+	176.07943	143.0
[M+NH4]+	171.12403	139.3
[M+K]+	192.05337	139.7
[M-H]-	152.08293	131.0
[M+Na-2H]-	174.06488	135.3
[M]+	153.08966	132.9
[M]-	153.09076	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe