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 163.3
[M+Na]+ 314.07262 171.0
[M-H]- 290.07612 167.2
[M+NH4]+ 309.11722 181.4
[M+K]+ 330.04656 161.4
[M+H-H2O]+ 274.08066 163.0
[M+HCOO]- 336.08160 176.3
[M+CH3COO]- 350.09725 197.9
[M+Na-2H]- 312.05807 165.7
[M]+ 291.08285 179.8
[M]- 291.08395 179.8
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