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]+ 240.03824 149.4
[M+Na]+ 262.02018 159.9
[M-H]- 238.02368 155.9
[M+NH4]+ 257.06478 170.6
[M+K]+ 277.99412 148.0
[M+H-H2O]+ 222.02822 149.2
[M+HCOO]- 284.02916 167.7
[M+CH3COO]- 298.04481 163.5
[M+Na-2H]- 260.00563 153.5
[M]+ 239.03041 163.7
[M]- 239.03151 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.