CID 512830

20458-52-0

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CCCCCCCCCCN1C(=O)C=CC1=O

InChI

InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(15)17/h10-11H,2-9,12H2,1H3

InChIKey

PZQWVKKXPIZFHC-UHFFFAOYSA-N

Compound name

1-decylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 271
Patents: 237.17288 Da
Monoisotopic Mass: 4.9
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]+	238.180156	158.0
[M+Na]+	260.162098	164.5
[M-H]-	236.165604	159.4
[M+NH4]+	255.206703	176.5
[M+K]+	276.136038	161.5
[M+H-H2O]+	220.170140	151.1
[M+HCOO]-	282.171081	179.6
[M+CH3COO]-	296.186731	194.1
[M+Na-2H]-	258.147546	158.8
[M]+	237.17233142	161.7
[M]-	237.17342858	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe