CID 12331573

4,4'-(ethane-1,2-diylbis(oxy))bis(4-oxobutanoic acid)

Structural Information

Molecular Formula
C10H14O8
SMILES
C(CC(=O)OCCOC(=O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H14O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKey
ZWKCNPROCBGDDD-UHFFFAOYSA-N
Compound name
4-[2-(3-carboxypropanoyloxy)ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

262.06888 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07616 153.7
[M+Na]+ 285.05810 158.2
[M-H]- 261.06160 150.6
[M+NH4]+ 280.10270 168.2
[M+K]+ 301.03204 158.9
[M+H-H2O]+ 245.06614 148.0
[M+HCOO]- 307.06708 171.9
[M+CH3COO]- 321.08273 189.3
[M+Na-2H]- 283.04355 153.3
[M]+ 262.06833 158.8
[M]- 262.06943 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe