CID 4281494

2-(4-bromophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC(NC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
HIJZBROSVFKSCP-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

388
Patents

225.0153 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 145.1
[M+Na]+ 248.00452 155.2
[M-H]- 224.00802 151.5
[M+NH4]+ 243.04912 166.6
[M+K]+ 263.97846 143.6
[M+H-H2O]+ 208.01256 144.9
[M+HCOO]- 270.01350 163.8
[M+CH3COO]- 284.02915 159.3
[M+Na-2H]- 245.98997 150.5
[M]+ 225.01475 158.8
[M]- 225.01585 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe