CID 31248

Succinic acid peroxide

Structural Information

Molecular Formula

C₈H₁₀O₈

SMILES

C(CC(=O)OOC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)

InChIKey

MKTOIPPVFPJEQO-UHFFFAOYSA-N

Compound name

4-(3-carboxypropanoylperoxy)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19838
Patents: 234.03757 Da
Monoisotopic Mass: -0.9
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]+	235.04485	147.8
[M+Na]+	257.02679	152.9
[M+NH4]+	252.07139	149.9
[M+K]+	273.00073	153.4
[M-H]-	233.03029	141.1
[M+Na-2H]-	255.01224	145.6
[M]+	234.03702	145.7
[M]-	234.03812	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe