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]+ 182.044776 133.0
[M+Na]+ 204.026718 140.7
[M-H]- 180.030224 136.1
[M+NH4]+ 199.071323 149.0
[M+K]+ 220.000658 141.6
[M+H-H2O]+ 164.034760 126.4
[M+HCOO]- 226.035701 150.3
[M+CH3COO]- 240.051351 176.3
[M+Na-2H]- 202.012166 142.3
[M]+ 181.03695142 133.2
[M]- 181.03804858 133.2
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