CID 83913424

3-[1-(4-bromophenyl)cyclopropyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H16BrN
SMILES
C1CNCC1C2(CC2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C13H16BrN/c14-12-3-1-10(2-4-12)13(6-7-13)11-5-8-15-9-11/h1-4,11,15H,5-9H2
InChIKey
JHIIUYFGCCDFSO-UHFFFAOYSA-N
Compound name
3-[1-(4-bromophenyl)cyclopropyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0466 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05388 154.8
[M+Na]+ 288.03582 166.3
[M-H]- 264.03932 164.7
[M+NH4]+ 283.08042 172.0
[M+K]+ 304.00976 154.7
[M+H-H2O]+ 248.04386 154.8
[M+HCOO]- 310.04480 173.0
[M+CH3COO]- 324.06045 168.3
[M+Na-2H]- 286.02127 160.0
[M]+ 265.04605 170.4
[M]- 265.04715 170.4
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.