CID 78535

N-hydroxymaleimide

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4H3NO3/c6-3-1-2-4(7)5(3)8/h1-2,8H

InChIKey

BUXKULRFRATXSI-UHFFFAOYSA-N

Compound name

1-hydroxypyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3711
Patents: 113.01129 Da
Monoisotopic Mass: -1.0
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]+	114.018566	115.5
[M+Na]+	136.000508	125.8
[M-H]-	112.004014	117.3
[M+NH4]+	131.045113	138.2
[M+K]+	151.974448	124.9
[M+H-H2O]+	96.008550	110.6
[M+HCOO]-	158.009491	139.2
[M+CH3COO]-	172.025141	163.2
[M+Na-2H]-	133.985956	121.2
[M]+	113.01074142	115.1
[M]-	113.01183858	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe