CID 73899

1497-19-4

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCCC1(CC(=O)NC1=O)C

InChI

InChI=1S/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)

InChIKey

VXXGMHKGORIRTK-UHFFFAOYSA-N

Compound name

3-methyl-3-propylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 317
Patents: 155.09464 Da
Monoisotopic Mass: 0.9
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	131.6
[M+Na]+	178.083858	140.1
[M-H]-	154.087364	132.7
[M+NH4]+	173.128463	154.7
[M+K]+	194.057798	138.1
[M+H-H2O]+	138.091900	127.2
[M+HCOO]-	200.092841	152.3
[M+CH3COO]-	214.108491	173.2
[M+Na-2H]-	176.069306	135.5
[M]+	155.09409142	130.1
[M]-	155.09518858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe