CID 7784472

2-oxo-1h,2h,5h,6h,7h,8h,9h-cyclohepta[b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CCC2=C(CC1)NC(=O)C(=C2)C#N
InChI
InChI=1S/C11H12N2O/c12-7-9-6-8-4-2-1-3-5-10(8)13-11(9)14/h6H,1-5H2,(H,13,14)
InChIKey
YKAQESWMJUYARM-UHFFFAOYSA-N
Compound name
2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 138.8
[M+Na]+ 211.084178 147.3
[M-H]- 187.087684 141.1
[M+NH4]+ 206.128783 154.7
[M+K]+ 227.058118 145.7
[M+H-H2O]+ 171.092220 127.1
[M+HCOO]- 233.093161 153.8
[M+CH3COO]- 247.108811 149.2
[M+Na-2H]- 209.069626 144.4
[M]+ 188.09441142 128.5
[M]- 188.09550858 128.5
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