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

26
Patents

179.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.5
[M+Na]+ 202.04746 143.4
[M-H]- 178.05096 135.5
[M+NH4]+ 197.09206 154.8
[M+K]+ 218.02140 140.1
[M+H-H2O]+ 162.05550 129.3
[M+HCOO]- 224.05644 154.0
[M+CH3COO]- 238.07209 174.2
[M+Na-2H]- 200.03291 139.0
[M]+ 179.05769 132.4
[M]- 179.05879 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