CID 70490083

1256818-33-3

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1C2=C(CO1)N=CC(=C2)C(=O)O
InChI
InChI=1S/C8H7NO3/c10-8(11)5-1-6-3-12-4-7(6)9-2-5/h1-2H,3-4H2,(H,10,11)
InChIKey
AGKLLTIBCYMULN-UHFFFAOYSA-N
Compound name
5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

165.04259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.9
[M+Na]+ 188.03181 138.6
[M-H]- 164.03531 132.7
[M+NH4]+ 183.07641 150.0
[M+K]+ 204.00575 137.9
[M+H-H2O]+ 148.03985 124.4
[M+HCOO]- 210.04079 150.2
[M+CH3COO]- 224.05644 173.3
[M+Na-2H]- 186.01726 136.9
[M]+ 165.04204 130.3
[M]- 165.04314 130.3
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