CID 23887

Butanedioic acid, 2,2'-oxybis-

Structural Information

Molecular Formula
C8H10O9
SMILES
C(C(C(=O)O)OC(CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKey
CFPOJWPDQWJEMO-UHFFFAOYSA-N
Compound name
2-(1,2-dicarboxyethoxy)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19278
Patents

250.03249 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03977 146.9
[M+Na]+ 273.02171 150.5
[M-H]- 249.02521 141.2
[M+NH4]+ 268.06631 159.9
[M+K]+ 288.99565 151.9
[M+H-H2O]+ 233.02975 141.7
[M+HCOO]- 295.03069 160.8
[M+CH3COO]- 309.04634 184.8
[M+Na-2H]- 271.00716 144.0
[M]+ 250.03194 147.7
[M]- 250.03304 147.7
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