CID 21930992

3-(bromomethyl)-1-methylpiperidine hydrobromide

Structural Information

Molecular Formula
C7H14BrN
SMILES
CN1CCCC(C1)CBr
InChI
InChI=1S/C7H14BrN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3
InChIKey
VZYZKPJAXWDZFT-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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 135.7
[M+Na]+ 214.020178 145.2
[M-H]- 190.023684 140.1
[M+NH4]+ 209.064783 157.7
[M+K]+ 229.994118 135.4
[M+H-H2O]+ 174.028220 135.9
[M+HCOO]- 236.029161 153.1
[M+CH3COO]- 250.044811 180.9
[M+Na-2H]- 212.005626 142.4
[M]+ 191.03041142 150.4
[M]- 191.03150858 150.4
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