CID 13197666

115084-81-6

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(C)C1C(=O)CC(=O)N1C

InChI

InChI=1S/C8H13NO2/c1-5(2)8-6(10)4-7(11)9(8)3/h5,8H,4H2,1-3H3

InChIKey

JWYRWJZQVPLMKQ-UHFFFAOYSA-N

Compound name

1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.09464 Da
Monoisotopic Mass: 0.8
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]+	156.101916	131.4
[M+Na]+	178.083858	140.2
[M-H]-	154.087364	134.1
[M+NH4]+	173.128463	153.5
[M+K]+	194.057798	139.4
[M+H-H2O]+	138.091900	126.3
[M+HCOO]-	200.092841	152.6
[M+CH3COO]-	214.108491	178.4
[M+Na-2H]-	176.069306	132.8
[M]+	155.09409142	131.3
[M]-	155.09518858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe