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]+ 298.18016 171.6
[M+Na]+ 320.16210 175.6
[M-H]- 296.16560 178.9
[M+NH4]+ 315.20670 186.3
[M+K]+ 336.13604 171.9
[M+H-H2O]+ 280.17014 162.0
[M+HCOO]- 342.17108 191.6
[M+CH3COO]- 356.18673 202.0
[M+Na-2H]- 318.14755 172.7
[M]+ 297.17233 170.7
[M]- 297.17343 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.