CID 56807128

3-amino-5-methyl-1-(1-methyl-1h-pyrazol-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₉H₁₄N₄O

SMILES

CC1CC(C(=O)N1C2=CN(N=C2)C)N

InChI

InChI=1S/C9H14N4O/c1-6-3-8(10)9(14)13(6)7-4-11-12(2)5-7/h4-6,8H,3,10H2,1-2H3

InChIKey

LPSKUALHJMUVSH-UHFFFAOYSA-N

Compound name

3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.11676 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]+	195.124036	143.0
[M+Na]+	217.105978	152.5
[M-H]-	193.109484	146.4
[M+NH4]+	212.150583	162.0
[M+K]+	233.079918	150.1
[M+H-H2O]+	177.114020	135.2
[M+HCOO]-	239.114961	164.6
[M+CH3COO]-	253.130611	186.2
[M+Na-2H]-	215.091426	143.1
[M]+	194.11621142	141.2
[M]-	194.11730858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.