CID 19880610

Mal-peg2-alcohol

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

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

InChI

InChI=1S/C8H11NO4/c10-4-6-13-5-3-9-7(11)1-2-8(9)12/h1-2,10H,3-6H2

InChIKey

IIYLRYHFPWHINS-UHFFFAOYSA-N

Compound name

1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 185.0688 Da
Monoisotopic Mass: -0.2
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]+	186.07608	139.3
[M+Na]+	208.05802	148.5
[M+NH4]+	203.10262	145.1
[M+K]+	224.03196	146.0
[M-H]-	184.06152	137.6
[M+Na-2H]-	206.04347	141.7
[M]+	185.06825	139.6
[M]-	185.06935	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe