CID 73556680

2-butenedioic acid (2z)-, oxybis(methyl-2,1-ethanediyl) ester

Structural Information

Molecular Formula
C14H18O9
SMILES
CC(COCC(C)OC(=O)C=CC(=O)O)OC(=O)C=CC(=O)O
InChI
InChI=1S/C14H18O9/c1-9(22-13(19)5-3-11(15)16)7-21-8-10(2)23-14(20)6-4-12(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
XSJSRSGQYKKGDQ-UHFFFAOYSA-N
Compound name
4-[1-[2-(3-carboxyprop-2-enoyloxy)propoxy]propan-2-yloxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0951 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10238 172.1
[M+Na]+ 353.08432 185.2
[M+NH4]+ 348.12892 187.4
[M+K]+ 369.05826 182.7
[M-H]- 329.08782 183.4
[M+Na-2H]- 351.06977 167.3
[M]+ 330.09455 182.9
[M]- 330.09565 182.9
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

No patent data available for this compound.