CID 3049913

1-methyl-4-phenyl-1,2,3,6-tetrahydro-3-pyridinol propionate hydrobromide

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCC(=O)OC1CN(CC=C1C2=CC=CC=C2)C
InChI
InChI=1S/C15H19NO2/c1-3-15(17)18-14-11-16(2)10-9-13(14)12-7-5-4-6-8-12/h4-9,14H,3,10-11H2,1-2H3
InChIKey
UNXVBBIJAXDZKA-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 157.1
[M+Na]+ 268.13081 163.1
[M-H]- 244.13431 161.9
[M+NH4]+ 263.17541 173.0
[M+K]+ 284.10475 160.2
[M+H-H2O]+ 228.13885 148.9
[M+HCOO]- 290.13979 176.6
[M+CH3COO]- 304.15544 194.0
[M+Na-2H]- 266.11626 160.1
[M]+ 245.14104 156.4
[M]- 245.14214 156.4
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

No patent data available for this compound.