CID 139597777

Schembl28137368

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN1CCCC1C2=CC(=CNC2=O)O

InChI

InChI=1S/C10H14N2O2/c1-12-4-2-3-9(12)8-5-7(13)6-11-10(8)14/h5-6,9,13H,2-4H2,1H3,(H,11,14)

InChIKey

WZWYUPNFLQRBLS-UHFFFAOYSA-N

Compound name

5-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.10553 Da
Monoisotopic Mass: -0.1
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]+	195.112806	141.9
[M+Na]+	217.094748	150.3
[M-H]-	193.098254	143.7
[M+NH4]+	212.139353	159.4
[M+K]+	233.068688	146.3
[M+H-H2O]+	177.102790	134.9
[M+HCOO]-	239.103731	160.5
[M+CH3COO]-	253.119381	177.6
[M+Na-2H]-	215.080196	144.4
[M]+	194.10498142	138.2
[M]-	194.10607858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe