CID 67119953

1-[4-(bromomethyl)phenyl]pyrrolidine hydrobromide

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCN(C1)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C11H14BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKey
QECJAIWNPGVUHE-UHFFFAOYSA-N
Compound name
1-[4-(bromomethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.03096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 148.9
[M+Na]+ 262.020178 159.0
[M-H]- 238.023684 156.4
[M+NH4]+ 257.064783 170.5
[M+K]+ 277.994118 148.0
[M+H-H2O]+ 222.028220 148.3
[M+HCOO]- 284.029161 168.6
[M+CH3COO]- 298.044811 163.3
[M+Na-2H]- 260.005626 154.1
[M]+ 239.03041142 164.6
[M]- 239.03150858 164.6
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