CID 10935

Maleimide

Structural Information

Molecular Formula

SMILES

C1=CC(=O)NC1=O

InChI

InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)

InChIKey

PEEHTFAAVSWFBL-UHFFFAOYSA-N

Compound name

pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1528
References: 78491
Patents: 97.01638 Da
Monoisotopic Mass: -0.3
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]+	98.023656	113.4
[M+Na]+	120.00560	122.9
[M-H]-	96.009104	114.8
[M+NH4]+	115.05020	136.5
[M+K]+	135.97954	121.5
[M+H-H2O]+	80.013640	108.4
[M+HCOO]-	142.01458	136.9
[M+CH3COO]-	156.03023	159.9
[M+Na-2H]-	117.99105	119.8
[M]+	97.015831	111.2
[M]-	97.016929	111.2

Literature stripe

literature stripe

Patent stripe

patents stripe