CID 49875403

Methyl 7-oxo-5h,6h,7h-cyclopenta[c]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1CC2=C(C1=O)C=NC=C2
InChI
InChI=1S/C10H9NO3/c1-14-10(13)7-4-6-2-3-11-5-8(6)9(7)12/h2-3,5,7H,4H2,1H3
InChIKey
VHDLVTHYJIOMJZ-UHFFFAOYSA-N
Compound name
methyl 7-oxo-5,6-dihydrocyclopenta[c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.7
[M+Na]+ 214.04746 147.1
[M-H]- 190.05096 141.3
[M+NH4]+ 209.09206 159.0
[M+K]+ 230.02140 145.3
[M+H-H2O]+ 174.05550 131.7
[M+HCOO]- 236.05644 159.9
[M+CH3COO]- 250.07209 181.5
[M+Na-2H]- 212.03291 142.6
[M]+ 191.05769 139.6
[M]- 191.05879 139.6
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

No patent data available for this compound.