CID 426611

1-(2-bromoethyl)piperidine hydrobromide

Structural Information

Molecular Formula
C7H14BrN
SMILES
C1CCN(CC1)CCBr
InChI
InChI=1S/C7H14BrN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
InChIKey
OMLPYEWVUSQNGF-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

191.03096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038236 136.2
[M+Na]+ 214.020178 144.8
[M-H]- 190.023684 140.2
[M+NH4]+ 209.064783 157.9
[M+K]+ 229.994118 135.0
[M+H-H2O]+ 174.028220 136.2
[M+HCOO]- 236.029161 153.6
[M+CH3COO]- 250.044811 180.0
[M+Na-2H]- 212.005626 143.5
[M]+ 191.03041142 150.5
[M]- 191.03150858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe