CID 155715281

2521945-12-8

Structural Information

Molecular Formula
C13H22BrNO3
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)CBr
InChI
InChI=1S/C13H22BrNO3/c1-12(2,3)18-11(17)15-7-5-13(4,6-8-15)10(16)9-14/h5-9H2,1-4H3
InChIKey
DHXSJXXPLXKUMQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromoacetyl)-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

319.0783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08558 165.6
[M+Na]+ 342.06752 173.9
[M-H]- 318.07102 169.7
[M+NH4]+ 337.11212 184.5
[M+K]+ 358.04146 164.4
[M+H-H2O]+ 302.07556 166.3
[M+HCOO]- 364.07650 178.7
[M+CH3COO]- 378.09215 201.4
[M+Na-2H]- 340.05297 169.2
[M]+ 319.07775 183.7
[M]- 319.07885 183.7
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