CID 130872650

Tert-butyl 3-(bromomethyl)-5-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC1CC(CN(C1)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C12H22BrNO2/c1-9-5-10(6-13)8-14(7-9)11(15)16-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKey
PVOQJIJXJPZWTC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-5-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.090676 162.7
[M+Na]+ 314.072618 171.5
[M-H]- 290.076124 167.0
[M+NH4]+ 309.117223 181.2
[M+K]+ 330.046558 161.5
[M+H-H2O]+ 274.080660 162.5
[M+HCOO]- 336.081601 176.6
[M+CH3COO]- 350.097251 198.2
[M+Na-2H]- 312.058066 165.7
[M]+ 291.08285142 180.2
[M]- 291.08394858 180.2
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.