CID 83718369

2243513-42-8

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1=CC(=CC(=C1)Br)C2CCCN2
InChI
InChI=1S/C11H14BrN/c1-8-5-9(7-10(12)6-8)11-3-2-4-13-11/h5-7,11,13H,2-4H2,1H3
InChIKey
LBZOVZJVHFJQAY-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 149.4
[M+Na]+ 262.020178 159.9
[M-H]- 238.023684 155.9
[M+NH4]+ 257.064783 170.6
[M+K]+ 277.994118 148.0
[M+H-H2O]+ 222.028220 149.2
[M+HCOO]- 284.029161 167.7
[M+CH3COO]- 298.044811 163.5
[M+Na-2H]- 260.005626 153.5
[M]+ 239.03041142 163.7
[M]- 239.03150858 163.7
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

No patent data available for this compound.