CID 51000338

4-(bromomethyl)-1-methylpiperidine hydrobromide

Structural Information

Molecular Formula
C7H14BrN
SMILES
CN1CCC(CC1)CBr
InChI
InChI=1S/C7H14BrN/c1-9-4-2-7(6-8)3-5-9/h7H,2-6H2,1H3
InChIKey
NLKNLIQTGLPTHN-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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

No literature data available for this compound.

Patent stripe

patents stripe