CID 70413048

Schembl10650921

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1COC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H7NO3/c10-8(11)6-3-5-1-2-12-7(5)9-4-6/h3-4H,1-2H2,(H,10,11)
InChIKey
XGEWRULGZRCQFC-UHFFFAOYSA-N
Compound name
2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 131.0
[M+Na]+ 188.03181 142.5
[M+NH4]+ 183.07641 139.0
[M+K]+ 204.00575 140.0
[M-H]- 164.03531 132.5
[M+Na-2H]- 186.01726 135.1
[M]+ 165.04204 132.8
[M]- 165.04314 132.8
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