CID 15191721

1-benzyl-3-bromopyrrolidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CN(CC1Br)CC2=CC=CC=C2
InChI
InChI=1S/C11H14BrN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
VOXJTPBOJBQGSL-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromopyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.03096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 150.9
[M+Na]+ 262.02018 154.0
[M+NH4]+ 257.06478 156.7
[M+K]+ 277.99412 153.9
[M-H]- 238.02368 153.0
[M+Na-2H]- 260.00563 154.9
[M]+ 239.03041 150.7
[M]- 239.03151 150.7
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

patents stripe