CID 3025114

Pyridine, 1,2,5,6-tetrahydro-1-(1-phenylcyclohexyl)-, hydrobromide

Structural Information

Molecular Formula
C17H23N
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCC=CC3
InChI
InChI=1S/C17H23N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,3-5,8,10-11H,2,6-7,9,12-15H2
InChIKey
LAGQRENRTSANDN-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.18304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 159.9
[M+Na]+ 264.17226 162.2
[M-H]- 240.17576 166.1
[M+NH4]+ 259.21686 176.5
[M+K]+ 280.14620 158.0
[M+H-H2O]+ 224.18030 150.0
[M+HCOO]- 286.18124 176.0
[M+CH3COO]- 300.19689 169.5
[M+Na-2H]- 262.15771 164.3
[M]+ 241.18249 150.7
[M]- 241.18359 150.7
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

No patent data available for this compound.