CID 71631548

Tert-butyl 2-(3-bromopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC(C)(C)OC(=O)N1CCCCC1CCCBr
InChI
InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h11H,4-10H2,1-3H3
InChIKey
PVSFMXKIJNNRDR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-bromopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09903 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10631 168.2
[M+Na]+ 328.08825 175.7
[M-H]- 304.09175 171.9
[M+NH4]+ 323.13285 185.9
[M+K]+ 344.06219 165.4
[M+H-H2O]+ 288.09629 167.6
[M+HCOO]- 350.09723 181.8
[M+CH3COO]- 364.11288 199.9
[M+Na-2H]- 326.07370 171.2
[M]+ 305.09848 185.6
[M]- 305.09958 185.6
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.