CID 372

72698-24-9

Structural Information

Molecular Formula
C7H4O6
SMILES
C1=C(C=C(OC1=O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey
VRMXCPVFSJVVCA-UHFFFAOYSA-N
Compound name
6-oxopyran-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

298
Patents

184.0008 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.008076 129.1
[M+Na]+ 206.990018 138.3
[M-H]- 182.993524 131.8
[M+NH4]+ 202.034623 146.2
[M+K]+ 222.963958 138.5
[M+H-H2O]+ 166.998060 123.9
[M+HCOO]- 228.999001 150.3
[M+CH3COO]- 243.014651 174.6
[M+Na-2H]- 204.975466 134.7
[M]+ 184.00025142 131.3
[M]- 184.00134858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe