CID 6436423

2-butenedioic acid (2z)-, 1,1'-(1,2-ethanediyl) ester

Structural Information

Molecular Formula
C10H10O8
SMILES
C(OC(=O)/C=C\C(=O)O)COC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1-,4-2-
InChIKey
SORHAFXJCOXOIC-CCAGOZQPSA-N
Compound name
(Z)-4-[2-[(Z)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3235
Patents

258.03757 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.044846 150.9
[M+Na]+ 281.026788 156.1
[M-H]- 257.030294 147.9
[M+NH4]+ 276.071393 165.5
[M+K]+ 297.000728 155.6
[M+H-H2O]+ 241.034830 145.4
[M+HCOO]- 303.035771 169.5
[M+CH3COO]- 317.051421 186.4
[M+Na-2H]- 279.012236 150.5
[M]+ 258.03702142 154.4
[M]- 258.03811858 154.4
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