CID 6484274

2-oxo-1h,2h,5h,6h,7h-cyclopenta[b]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(C1)NC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKey
GOBCNYSBQFAPOI-UHFFFAOYSA-N
Compound name
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

179.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.5
[M+Na]+ 202.047458 143.4
[M-H]- 178.050964 135.5
[M+NH4]+ 197.092063 154.8
[M+K]+ 218.021398 140.1
[M+H-H2O]+ 162.055500 129.3
[M+HCOO]- 224.056441 154.0
[M+CH3COO]- 238.072091 174.2
[M+Na-2H]- 200.032906 139.0
[M]+ 179.05769142 132.4
[M]- 179.05878858 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe