CID 574367

3,6-dihydro-2h-pyran-2,6-dione

Structural Information

Molecular Formula
C5H4O3
SMILES
C1C=CC(=O)OC1=O
InChI
InChI=1S/C5H4O3/c6-4-2-1-3-5(7)8-4/h1-2H,3H2
InChIKey
SYIUWAVTBADRJG-UHFFFAOYSA-N
Compound name
3H-pyran-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5623
Patents

112.016045 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02332 114.4
[M+Na]+ 135.00526 123.0
[M-H]- 111.00877 119.2
[M+NH4]+ 130.04987 135.9
[M+K]+ 150.97920 124.0
[M+H-H2O]+ 95.013305 109.7
[M+HCOO]- 157.01425 137.7
[M+CH3COO]- 171.02990 165.3
[M+Na-2H]- 132.99071 123.4
[M]+ 112.01550 114.1
[M]- 112.01659 114.1
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

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