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

7
Patents

305.09903 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.106306 164.0
[M+Na]+ 328.088248 173.2
[M-H]- 304.091754 168.4
[M+NH4]+ 323.132853 183.9
[M+K]+ 344.062188 163.4
[M+H-H2O]+ 288.096290 164.8
[M+HCOO]- 350.097231 177.7
[M+CH3COO]- 364.112881 200.6
[M+Na-2H]- 326.073696 167.9
[M]+ 305.09848142 182.3
[M]- 305.09957858 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