CID 6437760

Diethylene glycol bis(maleate)

Structural Information

Molecular Formula
C12H14O9
SMILES
C(OCCOC(=O)/C=C\C(=O)O)COC(=O)/C=C\C(=O)O
InChI
InChI=1S/C12H14O9/c13-9(14)1-3-11(17)20-7-5-19-6-8-21-12(18)4-2-10(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)/b3-1-,4-2-
InChIKey
UFEKWYVZBKRJRV-CCAGOZQPSA-N
Compound name
(Z)-4-[2-[2-[(Z)-3-carboxyprop-2-enoyl]oxyethoxy]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.06378 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07106 161.6
[M+Na]+ 325.05300 165.8
[M-H]- 301.05650 158.2
[M+NH4]+ 320.09760 177.7
[M+K]+ 341.02694 165.5
[M+H-H2O]+ 285.06104 155.5
[M+HCOO]- 347.06198 182.1
[M+CH3COO]- 361.07763 194.6
[M+Na-2H]- 323.03845 160.6
[M]+ 302.06323 167.3
[M]- 302.06433 167.3
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