CID 6501028

2-(2-bromoethyl)piperidine hydrobromide

Structural Information

Molecular Formula
C7H14BrN
SMILES
C1CCNC(C1)CCBr
InChI
InChI=1S/C7H14BrN/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-6H2
InChIKey
UISQNTXFRUUKBZ-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038236 137.3
[M+Na]+ 214.020178 145.4
[M-H]- 190.023684 139.9
[M+NH4]+ 209.064783 158.2
[M+K]+ 229.994118 134.6
[M+H-H2O]+ 174.028220 137.4
[M+HCOO]- 236.029161 153.2
[M+CH3COO]- 250.044811 177.4
[M+Na-2H]- 212.005626 144.0
[M]+ 191.03041142 149.8
[M]- 191.03150858 149.8
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