CID 4672596

2h-pyran-3(6h)-one

Structural Information

Molecular Formula
C5H6O2
SMILES
C1C=CC(=O)CO1
InChI
InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2H,3-4H2
InChIKey
YYRYKNXDWXDXSN-UHFFFAOYSA-N
Compound name
2H-pyran-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

540
Patents

98.03678 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 115.0
[M+Na]+ 121.02600 127.5
[M+NH4]+ 116.07060 124.4
[M+K]+ 136.99994 122.0
[M-H]- 97.029504 118.4
[M+Na-2H]- 119.01145 121.7
[M]+ 98.036231 117.7
[M]- 98.037329 117.7
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