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: 553
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]+	272.112876	159.1
[M+Na]+	294.094818	164.6
[M-H]-	270.098324	159.3
[M+NH4]+	289.139423	174.8
[M+K]+	310.068758	163.4
[M+H-H2O]+	254.102860	152.7
[M+HCOO]-	316.103801	177.7
[M+CH3COO]-	330.119451	193.7
[M+Na-2H]-	292.080266	157.8
[M]+	271.10505142	161.8
[M]-	271.10614858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe