CID 2776275

Benzyl 4-bromotetrahydro-1(2h)-pyridinecarboxylate

Structural Information

Molecular Formula
C13H16BrNO2
SMILES
C1CN(CCC1Br)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
BFWKSPOSMPKTSV-UHFFFAOYSA-N
Compound name
benzyl 4-bromopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

297.03644 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04372 160.7
[M+Na]+ 320.02566 168.6
[M-H]- 296.02916 167.5
[M+NH4]+ 315.07026 178.0
[M+K]+ 335.99960 158.0
[M+H-H2O]+ 280.03370 159.2
[M+HCOO]- 342.03464 177.2
[M+CH3COO]- 356.05029 196.1
[M+Na-2H]- 318.01111 165.3
[M]+ 297.03589 176.3
[M]- 297.03699 176.3
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.