CID 284897

2-(4-bromophenyl)-1-methylpyrrolidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
CN1CCCC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c1-13-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11H,2-3,8H2,1H3
InChIKey
RIEICTJOEICJJT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

239.03096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 148.4
[M+Na]+ 262.020178 159.4
[M-H]- 238.023684 156.3
[M+NH4]+ 257.064783 170.4
[M+K]+ 277.994118 148.4
[M+H-H2O]+ 222.028220 148.1
[M+HCOO]- 284.029161 168.2
[M+CH3COO]- 298.044811 188.7
[M+Na-2H]- 260.005626 153.1
[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