CID 23583298

936250-36-1

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)O)Br
InChI
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey
KIWHIAGYBKVHMO-HTQZYQBOSA-N
Compound name
tert-butyl (3R,4R)-4-bromo-3-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.047 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05428 157.2
[M+Na]+ 302.03622 166.2
[M-H]- 278.03972 160.3
[M+NH4]+ 297.08082 175.3
[M+K]+ 318.01016 156.2
[M+H-H2O]+ 262.04426 157.3
[M+HCOO]- 324.04520 170.4
[M+CH3COO]- 338.06085 192.1
[M+Na-2H]- 300.02167 160.7
[M]+ 279.04645 173.5
[M]- 279.04755 173.5
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.