CID 12999572

3-(4-bromophenoxy)pyrrolidine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CNCC1OC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKey
XOUVGXLUIDZSLH-UHFFFAOYSA-N
Compound name
3-(4-bromophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 147.9
[M+Na]+ 263.999438 157.8
[M-H]- 240.002944 154.2
[M+NH4]+ 259.044043 168.6
[M+K]+ 279.973378 146.6
[M+H-H2O]+ 224.007480 147.4
[M+HCOO]- 286.008421 166.7
[M+CH3COO]- 300.024071 184.2
[M+Na-2H]- 261.984886 153.2
[M]+ 241.00967142 162.8
[M]- 241.01076858 162.8
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