CID 10358619

142355-81-5

Structural Information

Molecular Formula
C14H26BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCCBr
InChI
InChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-10-7-12(8-11-16)6-4-5-9-15/h12H,4-11H2,1-3H3
InChIKey
VRSNDRCACPSZIP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

319.1147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12198 172.7
[M+Na]+ 342.10392 179.8
[M-H]- 318.10742 176.2
[M+NH4]+ 337.14852 189.9
[M+K]+ 358.07786 169.3
[M+H-H2O]+ 302.11196 171.9
[M+HCOO]- 364.11290 186.0
[M+CH3COO]- 378.12855 202.7
[M+Na-2H]- 340.08937 175.2
[M]+ 319.11415 190.5
[M]- 319.11525 190.5
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.