CID 213409

Phenetole, beta-piperidino-o-(o-tolyloxy)-, hydrochloride

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCCN3CCCCC3
InChI
InChI=1S/C20H25NO2/c1-17-9-3-4-10-18(17)23-20-12-6-5-11-19(20)22-16-15-21-13-7-2-8-14-21/h3-6,9-12H,2,7-8,13-16H2,1H3
InChIKey
DUMHTBYJRRRELU-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methylphenoxy)phenoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.1
[M+Na]+ 334.17776 179.9
[M-H]- 310.18126 182.9
[M+NH4]+ 329.22236 188.4
[M+K]+ 350.15170 175.4
[M+H-H2O]+ 294.18580 165.5
[M+HCOO]- 356.18674 194.4
[M+CH3COO]- 370.20239 205.8
[M+Na-2H]- 332.16321 178.8
[M]+ 311.18799 174.1
[M]- 311.18909 174.1
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.