CID 137956

N-butylsuccinimide

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCCCN1C(=O)CCC1=O

InChI

InChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-6H2,1H3

InChIKey

HKAIIKVJIRPASO-UHFFFAOYSA-N

Compound name

1-butylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 616
Patents: 155.09464 Da
Monoisotopic Mass: 0.4
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]+	156.10192	134.4
[M+Na]+	178.08386	144.3
[M+NH4]+	173.12846	141.8
[M+K]+	194.05780	140.6
[M-H]-	154.08736	134.2
[M+Na-2H]-	176.06931	137.5
[M]+	155.09409	135.4
[M]-	155.09519	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe