CID 102515459

(2e)-2-methyl-4,6-dioxohept-2-enedioate

Structural Information

Molecular Formula
C8H8O6
SMILES
C/C(=C\C(=O)CC(=O)C(=O)O)/C(=O)O
InChI
InChI=1S/C8H8O6/c1-4(7(11)12)2-5(9)3-6(10)8(13)14/h2H,3H2,1H3,(H,11,12)(H,13,14)/b4-2+
InChIKey
FLEYITPUELIUDL-DUXPYHPUSA-N
Compound name
(E)-2-methyl-4,6-dioxohept-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

200.03209 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.039366 138.2
[M+Na]+ 223.021308 143.9
[M-H]- 199.024814 135.7
[M+NH4]+ 218.065913 155.2
[M+K]+ 238.995248 143.8
[M+H-H2O]+ 183.029350 133.7
[M+HCOO]- 245.030291 155.8
[M+CH3COO]- 259.045941 179.8
[M+Na-2H]- 221.006756 137.3
[M]+ 200.03154142 138.4
[M]- 200.03263858 138.4
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.