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]+ 298.18016 171.3
[M+Na]+ 320.16210 176.5
[M-H]- 296.16560 178.9
[M+NH4]+ 315.20670 186.4
[M+K]+ 336.13604 172.3
[M+H-H2O]+ 280.17014 161.8
[M+HCOO]- 342.17108 192.3
[M+CH3COO]- 356.18673 202.3
[M+Na-2H]- 318.14755 172.8
[M]+ 297.17233 171.4
[M]- 297.17343 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.