CID 165668953

4-{3-bromobicyclo[1.1.1]pentan-1-yl}piperidine hydrochloride

Structural Information

Molecular Formula
C10H16BrN
SMILES
C1CNCCC1C23CC(C2)(C3)Br
InChI
InChI=1S/C10H16BrN/c11-10-5-9(6-10,7-10)8-1-3-12-4-2-8/h8,12H,1-7H2
InChIKey
NKVXTOBIXFOXQL-UHFFFAOYSA-N
Compound name
4-(3-bromo-1-bicyclo[1.1.1]pentanyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04662 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05390 138.0
[M+Na]+ 252.03584 143.9
[M-H]- 228.03934 143.1
[M+NH4]+ 247.08044 145.0
[M+K]+ 268.00978 142.2
[M+H-H2O]+ 212.04388 130.3
[M+HCOO]- 274.04482 146.8
[M+CH3COO]- 288.06047 210.7
[M+Na-2H]- 250.02129 146.6
[M]+ 229.04607 170.4
[M]- 229.04717 170.4
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.