CID 113957

63867-62-9

Structural Information

Molecular Formula
C16H25NO
SMILES
CC1CCCCN1CCCOCC2=CC=CC=C2
InChI
InChI=1S/C16H25NO/c1-15-8-5-6-11-17(15)12-7-13-18-14-16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3
InChIKey
AUDJIMCCPSCDGO-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-phenylmethoxypropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 161.2
[M+Na]+ 270.182838 164.6
[M-H]- 246.186344 164.8
[M+NH4]+ 265.227443 176.7
[M+K]+ 286.156778 161.3
[M+H-H2O]+ 230.190880 152.3
[M+HCOO]- 292.191821 179.4
[M+CH3COO]- 306.207471 194.8
[M+Na-2H]- 268.168286 164.4
[M]+ 247.19307142 158.9
[M]- 247.19416858 158.9
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.