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: 5507
Patents: 112.016045 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.023321	114.4
[M+Na]+	135.005263	123.0
[M-H]-	111.008769	119.2
[M+NH4]+	130.049868	135.9
[M+K]+	150.979203	124.0
[M+H-H2O]+	95.013305	109.7
[M+HCOO]-	157.014246	137.7
[M+CH3COO]-	171.029896	165.3
[M+Na-2H]-	132.990711	123.4
[M]+	112.01549642	114.1
[M]-	112.01659358	114.1

Literature stripe

literature stripe

Patent stripe

patents stripe