CID 482264

2-oxopyrano[2,3-c]pyridin-4-yl acetate

Structural Information

Molecular Formula
C10H7NO4
SMILES
CC(=O)OC1=CC(=O)OC2=C1C=CN=C2
InChI
InChI=1S/C10H7NO4/c1-6(12)14-8-4-10(13)15-9-5-11-3-2-7(8)9/h2-5H,1H3
InChIKey
HPNSXRYIPYSUGM-UHFFFAOYSA-N
Compound name
(2-oxopyrano[2,3-c]pyridin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.0375 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 137.4
[M+Na]+ 228.02672 148.0
[M-H]- 204.03022 142.1
[M+NH4]+ 223.07132 155.0
[M+K]+ 244.00066 147.4
[M+H-H2O]+ 188.03476 130.5
[M+HCOO]- 250.03570 159.6
[M+CH3COO]- 264.05135 183.6
[M+Na-2H]- 226.01217 146.7
[M]+ 205.03695 142.1
[M]- 205.03805 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.