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
1
Annotation Hits

0
References

2476
Patents

258.03757 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04485 150.9
[M+Na]+ 281.02679 156.1
[M-H]- 257.03029 147.9
[M+NH4]+ 276.07139 165.5
[M+K]+ 297.00073 155.6
[M+H-H2O]+ 241.03483 145.4
[M+HCOO]- 303.03577 169.5
[M+CH3COO]- 317.05142 186.4
[M+Na-2H]- 279.01224 150.5
[M]+ 258.03702 154.4
[M]- 258.03812 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