CID 163198196

1651180-56-1

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 158.7
[M+Na]+ 318.01000 167.6
[M-H]- 294.01350 165.9
[M+NH4]+ 313.05460 176.2
[M+K]+ 333.98394 156.9
[M+H-H2O]+ 278.01804 157.3
[M+HCOO]- 340.01898 176.6
[M+CH3COO]- 354.03463 195.8
[M+Na-2H]- 315.99545 164.4
[M]+ 295.02023 175.7
[M]- 295.02133 175.7
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.