CID 71629070

Tert-butyl 3-(1-bromoethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC(C1CCCN(C1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C12H22BrNO2/c1-9(13)10-6-5-7-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKey
ZLFJMPCLHOJWIV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-bromoethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

291.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 159.2
[M+Na]+ 314.07262 159.0
[M+NH4]+ 309.11722 162.4
[M+K]+ 330.04656 160.8
[M-H]- 290.07612 157.5
[M+Na-2H]- 312.05807 159.1
[M]+ 291.08285 157.3
[M]- 291.08395 157.3
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

patents stripe