CID 3025177

Brn 0273549

Structural Information

Molecular Formula
C20H25NO
SMILES
C1CCN(C1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-2-8-20(9-3-1)22-17-19-12-10-18(11-13-19)7-6-16-21-14-4-5-15-21/h1-3,8-13H,4-7,14-17H2
InChIKey
MZQJOAYHADUEEB-UHFFFAOYSA-N
Compound name
1-[3-[4-(phenoxymethyl)phenyl]propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.6
[M+Na]+ 318.18282 176.5
[M-H]- 294.18632 179.5
[M+NH4]+ 313.22742 187.5
[M+K]+ 334.15676 171.5
[M+H-H2O]+ 278.19086 162.7
[M+HCOO]- 340.19180 193.0
[M+CH3COO]- 354.20745 182.7
[M+Na-2H]- 316.16827 174.2
[M]+ 295.19305 171.1
[M]- 295.19415 171.1
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.