CID 53485132

5h,6h,7h,8h,9h-cyclohepta[b]pyridine-5,9-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1CC(=O)C2=C(C(=O)C1)N=CC=C2
InChI
InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2
InChIKey
INMIEUQKQXVBKR-UHFFFAOYSA-N
Compound name
7,8-dihydro-6H-cyclohepta[b]pyridine-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

175.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 130.4
[M+Na]+ 198.05254 137.6
[M-H]- 174.05604 134.9
[M+NH4]+ 193.09714 149.2
[M+K]+ 214.02648 139.2
[M+H-H2O]+ 158.06058 125.0
[M+HCOO]- 220.06152 150.6
[M+CH3COO]- 234.07717 181.5
[M+Na-2H]- 196.03799 137.8
[M]+ 175.06277 126.4
[M]- 175.06387 126.4
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