CID 114374

63867-67-4

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCCN1CCC(CC1)(C2=CC=CC=C2)OCC
InChI
InChI=1S/C17H27NO/c1-3-5-13-18-14-11-17(12-15-18,19-4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3
InChIKey
NPCNSQSUDBOYEL-UHFFFAOYSA-N
Compound name
1-butyl-4-ethoxy-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 166.5
[M+Na]+ 284.19848 178.9
[M+NH4]+ 279.24308 176.6
[M+K]+ 300.17242 168.3
[M-H]- 260.20198 170.7
[M+Na-2H]- 282.18393 175.1
[M]+ 261.20871 169.6
[M]- 261.20981 169.6
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.