CID 13402571

3-(pyridin-3-yl)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC(=CC(=O)C1)C2=CN=CC=C2
InChI
InChI=1S/C11H11NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6-8H,1,3,5H2
InChIKey
ONIOZXVZKCKBPJ-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

173.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.4
[M+Na]+ 196.07328 142.5
[M-H]- 172.07678 140.5
[M+NH4]+ 191.11788 154.0
[M+K]+ 212.04722 139.6
[M+H-H2O]+ 156.08132 127.9
[M+HCOO]- 218.08226 157.1
[M+CH3COO]- 232.09791 178.6
[M+Na-2H]- 194.05873 142.5
[M]+ 173.08351 132.2
[M]- 173.08461 132.2
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