CID 114374

Dtxsid80980533

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]+ 262.216536 165.5
[M+Na]+ 284.198478 169.6
[M-H]- 260.201984 169.4
[M+NH4]+ 279.243083 182.6
[M+K]+ 300.172418 166.3
[M+H-H2O]+ 244.206520 157.1
[M+HCOO]- 306.207461 183.5
[M+CH3COO]- 320.223111 197.4
[M+Na-2H]- 282.183926 169.2
[M]+ 261.20871142 163.9
[M]- 261.20980858 163.9
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.