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
4
Annotation Hits

0
References

20900
Patents

234.03757 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04485 144.7
[M+Na]+ 257.02679 150.1
[M-H]- 233.03029 142.0
[M+NH4]+ 252.07139 160.4
[M+K]+ 273.00073 151.3
[M+H-H2O]+ 217.03483 139.4
[M+HCOO]- 279.03577 163.5
[M+CH3COO]- 293.05142 182.8
[M+Na-2H]- 255.01224 145.3
[M]+ 234.03702 148.9
[M]- 234.03812 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe