CID 211452

1-[2-(3-bromophenoxy)ethyl]pyrrolidine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
C1CCN(C1)CCOC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H16BrNO/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14/h3-5,10H,1-2,6-9H2
InChIKey
KMOFOKGTZRFKEM-UHFFFAOYSA-N
Compound name
1-[2-(3-bromophenoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

269.04153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 158.9
[M+Na]+ 292.03075 161.4
[M+NH4]+ 287.07535 164.0
[M+K]+ 308.00469 161.4
[M-H]- 268.03425 160.5
[M+Na-2H]- 290.01620 162.2
[M]+ 269.04098 158.4
[M]- 269.04208 158.4
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

patents stripe