CID 64208939

3-bromo-1-tert-butylpiperidin-2-one

Structural Information

Molecular Formula
C9H16BrNO
SMILES
CC(C)(C)N1CCCC(C1=O)Br
InChI
InChI=1S/C9H16BrNO/c1-9(2,3)11-6-4-5-7(10)8(11)12/h7H,4-6H2,1-3H3
InChIKey
PCNKKRMNBKXLMF-UHFFFAOYSA-N
Compound name
3-bromo-1-tert-butylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04153 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04881 146.1
[M+Na]+ 256.03075 156.4
[M-H]- 232.03425 150.8
[M+NH4]+ 251.07535 166.9
[M+K]+ 272.00469 146.2
[M+H-H2O]+ 216.03879 146.6
[M+HCOO]- 278.03973 161.8
[M+CH3COO]- 292.05538 188.3
[M+Na-2H]- 254.01620 151.7
[M]+ 233.04098 162.0
[M]- 233.04208 162.0
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.