CID 15840553

115122-79-7

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(C1)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-4-6(9(12)13)5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKey
VJWZPFRDVGCOOZ-UHFFFAOYSA-N
Compound name
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
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

literature stripe

Patent stripe

patents stripe