CID 3032293

Dihydroxyfumaric acid dimethyl ester diacetate

Structural Information

Molecular Formula
C10H12O8
SMILES
CC(=O)O/C(=C(/C(=O)OC)\OC(=O)C)/C(=O)OC
InChI
InChI=1S/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7-
InChIKey
NKGXGEHGPYWBDK-FPLPWBNLSA-N
Compound name
dimethyl (Z)-2,3-diacetyloxybut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05322 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06050 149.7
[M+Na]+ 283.04244 155.4
[M-H]- 259.04594 149.9
[M+NH4]+ 278.08704 166.0
[M+K]+ 299.01638 158.4
[M+H-H2O]+ 243.05048 144.4
[M+HCOO]- 305.05142 169.4
[M+CH3COO]- 319.06707 193.3
[M+Na-2H]- 281.02789 148.4
[M]+ 260.05267 156.6
[M]- 260.05377 156.6
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.