CID 165649113

Tert-butyl 4-(1-bromopropan-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC(CBr)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24BrNO2/c1-10(9-14)11-5-7-15(8-6-11)12(16)17-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
IBRNNJDQWHMMDT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-bromopropan-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.106306 167.9
[M+Na]+ 328.088248 175.2
[M-H]- 304.091754 171.6
[M+NH4]+ 323.132853 185.5
[M+K]+ 344.062188 165.3
[M+H-H2O]+ 288.096290 167.4
[M+HCOO]- 350.097231 180.5
[M+CH3COO]- 364.112881 200.7
[M+Na-2H]- 326.073696 169.8
[M]+ 305.09848142 184.7
[M]- 305.09957858 184.7
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.