CID 458487

1585-90-6

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2

InChIKey

AXTADRUCVAUCRS-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3556
Patents: 141.04259 Da
Monoisotopic Mass: -0.1
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]+	142.04987	127.4
[M+Na]+	164.03181	137.6
[M+NH4]+	159.07641	134.2
[M+K]+	180.00575	135.0
[M-H]-	140.03531	126.4
[M+Na-2H]-	162.01726	130.8
[M]+	141.04204	128.1
[M]-	141.04314	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe