CID 59730744

2-(2-bromoethyl)-1-methylpyrrolidine hydrobromide

Structural Information

Molecular Formula
C7H14BrN
SMILES
CN1CCCC1CCBr
InChI
InChI=1S/C7H14BrN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3
InChIKey
HEIUQVCWUAMJAG-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

191.03096 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038236 138.3
[M+Na]+ 214.020178 149.0
[M-H]- 190.023684 142.9
[M+NH4]+ 209.064783 162.1
[M+K]+ 229.994118 139.1
[M+H-H2O]+ 174.028220 138.4
[M+HCOO]- 236.029161 157.7
[M+CH3COO]- 250.044811 180.8
[M+Na-2H]- 212.005626 143.5
[M]+ 191.03041142 154.8
[M]- 191.03150858 154.8
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