CID 71340631

128746-57-6

Structural Information

Molecular Formula

C₁₂H₁₇NO₆

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C12H17NO6/c14-9-7-8-10(15)13(9)19-12(18)6-4-2-1-3-5-11(16)17/h1-8H2,(H,16,17)

InChIKey

NVWKYNBWYYJZTK-UHFFFAOYSA-N

Compound name

8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 508
Patents: 271.1056 Da
Monoisotopic Mass: 0.5
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]+	272.11288	162.0
[M+Na]+	294.09482	167.9
[M+NH4]+	289.13942	165.1
[M+K]+	310.06876	167.3
[M-H]-	270.09832	158.0
[M+Na-2H]-	292.08027	160.7
[M]+	271.10505	160.9
[M]-	271.10615	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe