CID 135408778

32672-82-5

Structural Information

Molecular Formula

C₇H₈N₄O₂

SMILES

C1=NN(C2=C1C(=O)NC=N2)CCO

InChI

InChI=1S/C7H8N4O2/c12-2-1-11-6-5(3-10-11)7(13)9-4-8-6/h3-4,12H,1-2H2,(H,8,9,13)

InChIKey

XUYUXVGUZXUGLJ-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 180.06473 Da
Monoisotopic Mass: -1.0
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]+	181.07201	135.6
[M+Na]+	203.05395	148.5
[M+NH4]+	198.09855	141.6
[M+K]+	219.02789	145.5
[M-H]-	179.05745	133.8
[M+Na-2H]-	201.03940	140.6
[M]+	180.06418	136.6
[M]-	180.06528	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe