CID 6441801

71550-61-3

Structural Information

Molecular Formula
C11H12O8
SMILES
CC(COC(=O)/C=C\C(=O)O)OC(=O)/C=C\C(=O)O
InChI
InChI=1S/C11H12O8/c1-7(19-11(17)5-3-9(14)15)6-18-10(16)4-2-8(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/b4-2-,5-3-
InChIKey
UWAPZLSSQZOFLR-JVLMNHKTSA-N
Compound name
(Z)-4-[2-[(Z)-3-carboxyprop-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

272.05322 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06050 155.2
[M+Na]+ 295.04244 159.9
[M-H]- 271.04594 152.1
[M+NH4]+ 290.08704 169.3
[M+K]+ 311.01638 159.7
[M+H-H2O]+ 255.05048 149.8
[M+HCOO]- 317.05142 172.5
[M+CH3COO]- 331.06707 190.4
[M+Na-2H]- 293.02789 153.2
[M]+ 272.05267 158.5
[M]- 272.05377 158.5
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