CID 12550570

3-(dimethylamino)pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN(C)C1CC(=O)NC1=O

InChI

InChI=1S/C6H10N2O2/c1-8(2)4-3-5(9)7-6(4)10/h4H,3H2,1-2H3,(H,7,9,10)

InChIKey

ZKKFKXJEWLLXRG-UHFFFAOYSA-N

Compound name

3-(dimethylamino)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 142.07423 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]+	143.081506	127.7
[M+Na]+	165.063448	135.4
[M-H]-	141.066954	130.2
[M+NH4]+	160.108053	149.5
[M+K]+	181.037388	135.0
[M+H-H2O]+	125.071490	122.0
[M+HCOO]-	187.072431	150.6
[M+CH3COO]-	201.088081	175.9
[M+Na-2H]-	163.048896	131.0
[M]+	142.07368142	125.6
[M]-	142.07477858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe