CID 69177059

1095276-23-5

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1COC2=C(O1)C=CC(=N2)C(=O)O
InChI
InChI=1S/C8H7NO4/c10-8(11)5-1-2-6-7(9-5)13-4-3-12-6/h1-2H,3-4H2,(H,10,11)
InChIKey
SQYSSECTRFWJFS-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 134.2
[M+Na]+ 204.02672 146.7
[M+NH4]+ 199.07132 141.7
[M+K]+ 220.00066 142.9
[M-H]- 180.03022 137.3
[M+Na-2H]- 202.01217 138.4
[M]+ 181.03695 136.7
[M]- 181.03805 136.7
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

patents stripe