CID 87217090

(2z,16z)-4,15-dioxo-5,8,11,14-tetraoxaoctadeca-2,16-dienedioic acid

Structural Information

Molecular Formula
C14H18O10
SMILES
C(OCCOC(=O)/C=C\C(=O)O)COCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C14H18O10/c15-11(16)1-3-13(19)23-9-7-21-5-6-22-8-10-24-14(20)4-2-12(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18)/b3-1-,4-2-
InChIKey
JWAZLOQEHBHDGM-CCAGOZQPSA-N
Compound name
(Z)-4-[2-[2-[2-[(Z)-3-carboxyprop-2-enoyl]oxyethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.09 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09728 175.7
[M+Na]+ 369.07922 188.2
[M+NH4]+ 364.12382 189.6
[M+K]+ 385.05316 185.8
[M-H]- 345.08272 184.8
[M+Na-2H]- 367.06467 171.1
[M]+ 346.08945 185.7
[M]- 346.09055 185.7
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