CID 24271762

1017436-19-9

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(C1C(=O)O)NC(=O)C=C2
InChI
InChI=1S/C9H9NO3/c11-7-4-2-5-1-3-6(9(12)13)8(5)10-7/h2,4,6H,1,3H2,(H,10,11)(H,12,13)
InChIKey
CKTWFQMQIVPATO-UHFFFAOYSA-N
Compound name
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

179.05824 Da
Monoisotopic Mass

-0.3
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

No literature data available for this compound.

Patent stripe

patents stripe