CID 484983

Acetylpatulin

Structural Information

Molecular Formula
C9H8O5
SMILES
CC(=O)OC1C2=CC(=O)OC2=CCO1
InChI
InChI=1S/C9H8O5/c1-5(10)13-9-6-4-8(11)14-7(6)2-3-12-9/h2,4,9H,3H2,1H3
InChIKey
UUHUDZPFTKBABY-UHFFFAOYSA-N
Compound name
(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

196.03717 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 135.4
[M+Na]+ 219.02639 144.2
[M-H]- 195.02989 141.6
[M+NH4]+ 214.07099 155.1
[M+K]+ 235.00033 145.9
[M+H-H2O]+ 179.03443 130.9
[M+HCOO]- 241.03537 156.4
[M+CH3COO]- 255.05102 180.9
[M+Na-2H]- 217.01184 142.0
[M]+ 196.03662 139.2
[M]- 196.03772 139.2
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

No patent data available for this compound.