CID 51340984

174569-25-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₆

SMILES

COCCOCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C10H15NO6/c1-15-6-7-16-5-4-10(14)17-11-8(12)2-3-9(11)13/h2-7H2,1H3

InChIKey

IMSXKORGOVQCNT-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-(2-methoxyethoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 245.08994 Da
Monoisotopic Mass: -1.1
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]+	246.09722	150.3
[M+Na]+	268.07916	157.1
[M-H]-	244.08266	152.1
[M+NH4]+	263.12376	167.9
[M+K]+	284.05310	157.3
[M+H-H2O]+	228.08720	143.8
[M+HCOO]-	290.08814	171.9
[M+CH3COO]-	304.10379	190.1
[M+Na-2H]-	266.06461	151.7
[M]+	245.08939	155.6
[M]-	245.09049	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe