CID 164236

127056-80-8

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂

SMILES

CC1CC(N(C1=O)C2=NNC(=C2)C(C)(C)C)O

InChI

InChI=1S/C12H19N3O2/c1-7-5-10(16)15(11(7)17)9-6-8(13-14-9)12(2,3)4/h6-7,10,16H,5H2,1-4H3,(H,13,14)

InChIKey

RCHLYUYSYUIXBY-UHFFFAOYSA-N

Compound name

1-(5-tert-butyl-1H-pyrazol-3-yl)-5-hydroxy-3-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.14772 Da
Monoisotopic Mass: 1.7
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]+	238.154996	157.7
[M+Na]+	260.136938	166.2
[M-H]-	236.140444	158.8
[M+NH4]+	255.181543	174.3
[M+K]+	276.110878	162.9
[M+H-H2O]+	220.144980	151.2
[M+HCOO]-	282.145921	173.4
[M+CH3COO]-	296.161571	187.8
[M+Na-2H]-	258.122386	156.8
[M]+	237.14717142	155.8
[M]-	237.14826858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.