CID 16788188

54052-99-2

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CC(=O)N(C1=O)CCCN

InChI

InChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5,8H2

InChIKey

NDRCCTSDWGOJPZ-UHFFFAOYSA-N

Compound name

1-(3-aminopropyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 156.08987 Da
Monoisotopic Mass: -1.4
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]+	157.097146	132.3
[M+Na]+	179.079088	139.8
[M-H]-	155.082594	134.0
[M+NH4]+	174.123693	153.3
[M+K]+	195.053028	138.3
[M+H-H2O]+	139.087130	126.2
[M+HCOO]-	201.088071	155.2
[M+CH3COO]-	215.103721	177.5
[M+Na-2H]-	177.064536	135.2
[M]+	156.08932142	130.2
[M]-	156.09041858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe