CID 213407

O-(2-pyrrolidinylethoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCCN3CCCC3
InChI
InChI=1S/C19H23NO2/c1-16-8-2-3-9-17(16)22-19-11-5-4-10-18(19)21-15-14-20-12-6-7-13-20/h2-5,8-11H,6-7,12-15H2,1H3
InChIKey
UZPFXRIZDWDPIK-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methylphenoxy)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.3
[M+Na]+ 320.162098 176.5
[M-H]- 296.165604 178.9
[M+NH4]+ 315.206703 186.4
[M+K]+ 336.136038 172.3
[M+H-H2O]+ 280.170140 161.8
[M+HCOO]- 342.171081 192.3
[M+CH3COO]- 356.186731 202.3
[M+Na-2H]- 318.147546 172.8
[M]+ 297.17233142 171.4
[M]- 297.17342858 171.4
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.