CID 10513373

90267-85-9

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

C1=CC(=O)N(C1=O)CCCCCCC(=O)O

InChI

InChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,15,16)

InChIKey

DHELHOUTNAEDJP-UHFFFAOYSA-N

Compound name

7-(2,5-dioxopyrrol-1-yl)heptanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 225.10011 Da
Monoisotopic Mass: 1.5
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]+	226.10739	151.7
[M+Na]+	248.08933	160.1
[M+NH4]+	243.13393	156.7
[M+K]+	264.06327	157.6
[M-H]-	224.09283	149.5
[M+Na-2H]-	246.07478	152.9
[M]+	225.09956	151.7
[M]-	225.10066	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe