CID 213382

26321-09-5

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCCCN3CCCCC3
InChI
InChI=1S/C21H27NO2/c1-18-10-3-4-11-19(18)24-21-13-6-5-12-20(21)23-17-9-16-22-14-7-2-8-15-22/h3-6,10-13H,2,7-9,14-17H2,1H3
InChIKey
HTKHDRLOJMRODV-UHFFFAOYSA-N
Compound name
1-[3-[2-(2-methylphenoxy)phenoxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 182.0
[M+Na]+ 348.19342 196.3
[M+NH4]+ 343.23802 190.6
[M+K]+ 364.16736 186.6
[M-H]- 324.19692 188.4
[M+Na-2H]- 346.17887 191.5
[M]+ 325.20365 186.0
[M]- 325.20475 186.0
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.