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]+ 201.03937 141.5
[M+Na]+ 223.02131 147.2
[M+NH4]+ 218.06591 144.3
[M+K]+ 238.99525 147.4
[M-H]- 199.02481 135.4
[M+Na-2H]- 221.00676 139.7
[M]+ 200.03154 139.7
[M]- 200.03264 139.7
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.