CID 165141997

2842301-82-8

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC1(CN(CCC1CBr)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24BrNO2/c1-12(2,3)17-11(16)15-7-6-10(8-14)13(4,5)9-15/h10H,6-9H2,1-5H3
InChIKey
MOGWXJCRFFDWAK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethyl)-3,3-dimethylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.09903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10631 164.0
[M+Na]+ 328.08825 173.2
[M-H]- 304.09175 168.4
[M+NH4]+ 323.13285 183.9
[M+K]+ 344.06219 163.4
[M+H-H2O]+ 288.09629 164.8
[M+HCOO]- 350.09723 177.7
[M+CH3COO]- 364.11288 200.6
[M+Na-2H]- 326.07370 167.9
[M]+ 305.09848 182.3
[M]- 305.09958 182.3
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