CID 3042676

Rap 431

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCCCOC1=CC=CC=C1OCCN2CCCCC2
InChI
InChI=1S/C17H27NO2/c1-2-3-14-19-16-9-5-6-10-17(16)20-15-13-18-11-7-4-8-12-18/h5-6,9-10H,2-4,7-8,11-15H2,1H3
InChIKey
FFVASTJVNYZGQR-UHFFFAOYSA-N
Compound name
1-[2-(2-butoxyphenoxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 168.8
[M+Na]+ 300.193418 171.7
[M-H]- 276.196924 172.2
[M+NH4]+ 295.238023 183.0
[M+K]+ 316.167358 168.7
[M+H-H2O]+ 260.201460 159.5
[M+HCOO]- 322.202401 186.9
[M+CH3COO]- 336.218051 199.8
[M+Na-2H]- 298.178866 171.5
[M]+ 277.20365142 168.3
[M]- 277.20474858 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