CID 44150802

Pentanoic acid, 5,5'-dioxybis[5-oxo-

Structural Information

Molecular Formula
C10H14O8
SMILES
C(CC(=O)O)CC(=O)OOC(=O)CCCC(=O)O
InChI
InChI=1S/C10H14O8/c11-7(12)3-1-5-9(15)17-18-10(16)6-2-4-8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKey
AZCJWTGZSWIVHV-UHFFFAOYSA-N
Compound name
5-(4-carboxybutanoylperoxy)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

463
Patents

262.06888 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07616 154.0
[M+Na]+ 285.05810 158.6
[M-H]- 261.06160 150.9
[M+NH4]+ 280.10270 168.6
[M+K]+ 301.03204 159.3
[M+H-H2O]+ 245.06614 148.3
[M+HCOO]- 307.06708 172.2
[M+CH3COO]- 321.08273 188.7
[M+Na-2H]- 283.04355 153.5
[M]+ 262.06833 159.0
[M]- 262.06943 159.0
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