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

15
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.