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]+ 248.20090 161.2
[M+Na]+ 270.18284 164.6
[M-H]- 246.18634 164.8
[M+NH4]+ 265.22744 176.7
[M+K]+ 286.15678 161.3
[M+H-H2O]+ 230.19088 152.3
[M+HCOO]- 292.19182 179.4
[M+CH3COO]- 306.20747 194.8
[M+Na-2H]- 268.16829 164.4
[M]+ 247.19307 158.9
[M]- 247.19417 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.