CID 146457103

5h,6h,8h-pyrano[3,4-b]pyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1COCC2=C1C=CC(=N2)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-9(12)7-2-1-6-3-4-13-5-8(6)10-7/h1-2H,3-5H2,(H,11,12)
InChIKey
UNKRWRLDKCZOAB-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.1
[M+Na]+ 202.04746 141.4
[M-H]- 178.05096 136.4
[M+NH4]+ 197.09206 151.7
[M+K]+ 218.02140 140.6
[M+H-H2O]+ 162.05550 127.7
[M+HCOO]- 224.05644 151.9
[M+CH3COO]- 238.07209 176.8
[M+Na-2H]- 200.03291 142.2
[M]+ 179.05769 132.7
[M]- 179.05879 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