CID 165987861

Tert-butyl 3-(2-bromoethynyl)-3-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C#CBr)O
InChI
InChI=1S/C12H18BrNO3/c1-11(2,3)17-10(15)14-8-4-5-12(16,9-14)6-7-13/h16H,4-5,8-9H2,1-3H3
InChIKey
ZNBBULOHAJQXGW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethynyl)-3-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.047 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05428 159.2
[M+Na]+ 326.03622 170.3
[M-H]- 302.03972 160.1
[M+NH4]+ 321.08082 176.1
[M+K]+ 342.01016 158.7
[M+H-H2O]+ 286.04426 154.0
[M+HCOO]- 348.04520 169.8
[M+CH3COO]- 362.06085 200.8
[M+Na-2H]- 324.02167 163.1
[M]+ 303.04645 169.0
[M]- 303.04755 169.0
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.