CID 23054403

75238-09-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

C1=CC(=O)N(C1=O)CCCCCCN

InChI

InChI=1S/C10H16N2O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14/h5-6H,1-4,7-8,11H2

InChIKey

HNWOYAYJUYWRGD-UHFFFAOYSA-N

Compound name

1-(6-aminohexyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 196.12119 Da
Monoisotopic Mass: 1.1
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]+	197.12847	145.3
[M+Na]+	219.11041	154.1
[M+NH4]+	214.15501	151.7
[M+K]+	235.08435	150.4
[M-H]-	195.11391	145.3
[M+Na-2H]-	217.09586	148.1
[M]+	196.12064	146.1
[M]-	196.12174	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe