CID 79245

N-pentylsuccinimide

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCCCCN1C(=O)CCC1=O

InChI

InChI=1S/C9H15NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h2-7H2,1H3

InChIKey

NEQDNPLLVJBQNJ-UHFFFAOYSA-N

Compound name

1-pentylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 169.11028 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]+	170.11756	137.0
[M+Na]+	192.09950	144.6
[M-H]-	168.10300	138.9
[M+NH4]+	187.14410	158.2
[M+K]+	208.07344	143.1
[M+H-H2O]+	152.10754	131.1
[M+HCOO]-	214.10848	158.9
[M+CH3COO]-	228.12413	179.3
[M+Na-2H]-	190.08495	139.5
[M]+	169.10973	137.5
[M]-	169.11083	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe