CID 167739859

Rac-tert-butyl (2r,4r)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
C[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C12H22BrNO2/c1-9-7-10(8-13)5-6-14(9)11(15)16-12(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey
RHJTZNZUGPXPJP-NXEZZACHSA-N
Compound name
tert-butyl (2R,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 160.4
[M+Na]+ 314.07262 160.9
[M+NH4]+ 309.11722 163.7
[M+K]+ 330.04656 162.1
[M-H]- 290.07612 158.9
[M+Na-2H]- 312.05807 160.3
[M]+ 291.08285 158.7
[M]- 291.08395 158.7
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.