CID 131238915

Tert-butyl 2-[(2e)-3-bromoprop-2-en-1-yl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCCCC1C/C=C/Br
InChI
InChI=1S/C13H22BrNO2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h6,9,11H,4-5,7-8,10H2,1-3H3/b9-6+
InChIKey
WDPSMCZCKHVSJZ-RMKNXTFCSA-N
Compound name
tert-butyl 2-[(E)-3-bromoprop-2-enyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 166.6
[M+Na]+ 326.07262 174.5
[M-H]- 302.07612 170.4
[M+NH4]+ 321.11722 184.4
[M+K]+ 342.04656 163.7
[M+H-H2O]+ 286.08066 166.1
[M+HCOO]- 348.08160 180.4
[M+CH3COO]- 362.09725 198.5
[M+Na-2H]- 324.05807 169.7
[M]+ 303.08285 183.3
[M]- 303.08395 183.3
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.