CID 512831

N-nonylmaleimide

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCCCCCCCCN1C(=O)C=CC1=O

InChI

InChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h9-10H,2-8,11H2,1H3

InChIKey

UNJAMUMWPRRGHF-UHFFFAOYSA-N

Compound name

1-nonylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 93
Patents: 223.15723 Da
Monoisotopic Mass: 4.3
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]+	224.16451	153.4
[M+Na]+	246.14645	160.3
[M-H]-	222.14995	155.0
[M+NH4]+	241.19105	172.5
[M+K]+	262.12039	157.6
[M+H-H2O]+	206.15449	146.7
[M+HCOO]-	268.15543	175.4
[M+CH3COO]-	282.17108	191.0
[M+Na-2H]-	244.13190	154.8
[M]+	223.15668	156.8
[M]-	223.15778	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe