CID 164472

262425-59-2

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
InChIKey
JQTXWEHBUDESJC-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

281.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.1
[M+Na]+ 304.167198 172.5
[M-H]- 280.170704 175.2
[M+NH4]+ 299.211803 183.5
[M+K]+ 320.141138 167.7
[M+H-H2O]+ 264.175240 158.4
[M+HCOO]- 326.176181 188.9
[M+CH3COO]- 340.191831 178.6
[M+Na-2H]- 302.152646 170.2
[M]+ 281.17743142 166.3
[M]- 281.17852858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe