CID 53914457

1511700-07-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₆

SMILES

COC(=O)CCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C10H13NO6/c1-16-9(14)3-2-4-10(15)17-11-7(12)5-6-8(11)13/h2-6H2,1H3

InChIKey

VGVQMVBXFLYTSS-UHFFFAOYSA-N

Compound name

5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 243.07428 Da
Monoisotopic Mass: -0.7
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]+	244.081556	149.2
[M+Na]+	266.063498	156.2
[M-H]-	242.067004	151.3
[M+NH4]+	261.108103	166.9
[M+K]+	282.037438	156.3
[M+H-H2O]+	226.071540	143.1
[M+HCOO]-	288.072481	170.1
[M+CH3COO]-	302.088131	189.5
[M+Na-2H]-	264.048946	149.5
[M]+	243.07373142	153.1
[M]-	243.07482858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe