CID 21873783

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1COC2=C(O1)C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H7NO4/c10-8(11)5-3-6-7(9-4-5)13-2-1-12-6/h3-4H,1-2H2,(H,10,11)
InChIKey
GJMRZEFOMRCYBI-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

181.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.0
[M+Na]+ 204.02672 140.7
[M-H]- 180.03022 136.1
[M+NH4]+ 199.07132 149.0
[M+K]+ 220.00066 141.6
[M+H-H2O]+ 164.03476 126.4
[M+HCOO]- 226.03570 150.3
[M+CH3COO]- 240.05135 176.3
[M+Na-2H]- 202.01217 142.3
[M]+ 181.03695 133.2
[M]- 181.03805 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