CID 121553579

1909336-33-9

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC2=C(CCC1=O)N=CC=C2
InChI
InChI=1S/C10H11NO/c12-9-4-3-8-2-1-7-11-10(8)6-5-9/h1-2,7H,3-6H2
InChIKey
UCEOTVXDIIMOJK-UHFFFAOYSA-N
Compound name
5,6,8,9-tetrahydrocyclohepta[b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 128.7
[M+Na]+ 184.07328 134.8
[M-H]- 160.07678 132.8
[M+NH4]+ 179.11788 147.9
[M+K]+ 200.04722 136.2
[M+H-H2O]+ 144.08132 123.2
[M+HCOO]- 206.08226 148.5
[M+CH3COO]- 220.09791 141.5
[M+Na-2H]- 182.05873 136.7
[M]+ 161.08351 123.6
[M]- 161.08461 123.6
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.