CID 15637681

68471-58-9

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CC=CN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKey
LLRZWESXFFNSKX-UHFFFAOYSA-N
Compound name
benzyl 3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

217.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.8
[M+Na]+ 240.09950 153.8
[M-H]- 216.10300 153.2
[M+NH4]+ 235.14410 165.2
[M+K]+ 256.07344 151.4
[M+H-H2O]+ 200.10754 140.5
[M+HCOO]- 262.10848 169.0
[M+CH3COO]- 276.12413 185.1
[M+Na-2H]- 238.08495 154.2
[M]+ 217.10973 146.5
[M]- 217.11083 146.5
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