CID 57549227

1097180-24-9

Structural Information

Molecular Formula
C13H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)CBr
InChI
InChI=1S/C13H22BrNO3/c1-13(2,3)18-12(17)15-7-5-4-6-10(15)8-11(16)9-14/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKey
ZIJCVCKVXHYUPU-JTQLQIEISA-N
Compound name
tert-butyl (2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

319.0783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08558 168.5
[M+Na]+ 342.06752 175.9
[M-H]- 318.07102 172.2
[M+NH4]+ 337.11212 185.4
[M+K]+ 358.04146 166.1
[M+H-H2O]+ 302.07556 167.9
[M+HCOO]- 364.07650 181.6
[M+CH3COO]- 378.09215 201.8
[M+Na-2H]- 340.05297 170.6
[M]+ 319.07775 186.1
[M]- 319.07885 186.1
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

patents stripe