CID 210231

21182-03-6

Structural Information

Molecular Formula
C20H25NO
SMILES
CN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-21-14-8-9-17(15-21)16-22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3
InChIKey
JWSKMZJRAOPKDF-UHFFFAOYSA-N
Compound name
3-(benzhydryloxymethyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.7
[M+Na]+ 318.18282 175.4
[M-H]- 294.18632 179.2
[M+NH4]+ 313.22742 185.4
[M+K]+ 334.15676 170.8
[M+H-H2O]+ 278.19086 162.3
[M+HCOO]- 340.19180 189.8
[M+CH3COO]- 354.20745 181.9
[M+Na-2H]- 316.16827 175.0
[M]+ 295.19305 168.3
[M]- 295.19415 168.3
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

patents stripe