CID 513919

3,5-diacetyltetrahydropyran-2,4,6 treated bsa

Structural Information

Molecular Formula
C8H6O7
SMILES
C=C1C(C(=O)C(C(=O)O1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O7/c1-2-3(6(10)11)5(9)4(7(12)13)8(14)15-2/h3-4H,1H2,(H,10,11)(H,12,13)
InChIKey
AUIUCPRVEMJUKV-UHFFFAOYSA-N
Compound name
2-methylidene-4,6-dioxooxane-3,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01863 135.3
[M+Na]+ 237.00057 143.4
[M-H]- 213.00407 137.4
[M+NH4]+ 232.04517 151.2
[M+K]+ 252.97451 143.4
[M+H-H2O]+ 197.00861 130.8
[M+HCOO]- 259.00955 152.4
[M+CH3COO]- 273.02520 182.4
[M+Na-2H]- 234.98602 136.8
[M]+ 214.01080 134.7
[M]- 214.01190 134.7
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

No patent data available for this compound.