CID 163198196

Benzyl 4-bromo-5,6-dihydropyridine-1(2h)-carboxylate

Structural Information

Molecular Formula
C13H14BrNO2
SMILES
C1CN(CC=C1Br)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6H,7-10H2
InChIKey
IKOCDPLTLLAFJD-UHFFFAOYSA-N
Compound name
benzyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02078 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02806 156.9
[M+Na]+ 318.01000 160.4
[M+NH4]+ 313.05460 161.4
[M+K]+ 333.98394 159.7
[M-H]- 294.01350 158.5
[M+Na-2H]- 315.99545 161.4
[M]+ 295.02023 156.6
[M]- 295.02133 156.6
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.