CID 65543986

2-(3-bromo-2-methylphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1=C(C=CC=C1Br)C2CCCN2
InChI
InChI=1S/C11H14BrN/c1-8-9(4-2-5-10(8)12)11-6-3-7-13-11/h2,4-5,11,13H,3,6-7H2,1H3
InChIKey
BMSYXCYQFFDZBY-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-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 151.2
[M+Na]+ 262.02018 154.2
[M+NH4]+ 257.06478 156.7
[M+K]+ 277.99412 154.5
[M-H]- 238.02368 152.9
[M+Na-2H]- 260.00563 154.5
[M]+ 239.03041 150.9
[M]- 239.03151 150.9
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.