CID 71299028

3,4-dihydro-2h-pyrano[2,3-b]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(N=CC(=C2)C(=O)O)OC1
InChI
InChI=1S/C9H9NO3/c11-9(12)7-4-6-2-1-3-13-8(6)10-5-7/h4-5H,1-3H2,(H,11,12)
InChIKey
AECRHVMMLYHHTH-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

179.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.1
[M+Na]+ 202.047458 141.4
[M-H]- 178.050964 136.4
[M+NH4]+ 197.092063 151.7
[M+K]+ 218.021398 140.6
[M+H-H2O]+ 162.055500 127.7
[M+HCOO]- 224.056441 151.9
[M+CH3COO]- 238.072091 176.8
[M+Na-2H]- 200.032906 142.2
[M]+ 179.05769142 132.7
[M]- 179.05878858 132.7
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