CID 269945

5-oxoazelaic acid

Structural Information

Molecular Formula

C₉H₁₄O₅

SMILES

C(CC(=O)CCCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)

InChIKey

GTCHZEFRDKAINX-UHFFFAOYSA-N

Compound name

5-oxononanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 202.08412 Da
Monoisotopic Mass: -0.3
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]+	203.09140	145.2
[M+Na]+	225.07334	151.7
[M+NH4]+	220.11794	149.2
[M+K]+	241.04728	149.6
[M-H]-	201.07684	140.5
[M+Na-2H]-	223.05879	144.5
[M]+	202.08357	144.1
[M]-	202.08467	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe