CID 212580

24588-91-8

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(CN1CCCC1)OC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-16(15-20-13-7-8-14-20)21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3
InChIKey
GIOWPCPTVQDXGM-UHFFFAOYSA-N
Compound name
1-[2-(2-phenoxyphenoxy)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.6
[M+Na]+ 320.162098 175.6
[M-H]- 296.165604 178.9
[M+NH4]+ 315.206703 186.3
[M+K]+ 336.136038 171.9
[M+H-H2O]+ 280.170140 162.0
[M+HCOO]- 342.171081 191.6
[M+CH3COO]- 356.186731 202.0
[M+Na-2H]- 318.147546 172.7
[M]+ 297.17233142 170.7
[M]- 297.17342858 170.7
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

No patent data available for this compound.