CID 18187487

Tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CBr
InChI
InChI=1S/C12H20BrNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(15)8-13/h9H,4-8H2,1-3H3
InChIKey
HYRSGTXIVIMOOX-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromoacetyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

305.06265 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06993 163.9
[M+Na]+ 328.05187 171.8
[M-H]- 304.05537 167.9
[M+NH4]+ 323.09647 181.4
[M+K]+ 344.02581 162.1
[M+H-H2O]+ 288.05991 163.5
[M+HCOO]- 350.06085 177.3
[M+CH3COO]- 364.07650 199.0
[M+Na-2H]- 326.03732 166.6
[M]+ 305.06210 181.2
[M]- 305.06320 181.2
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

patents stripe