CID 3079585

3-ethyl-3-(3-hydroxyphenyl)-1-propylpiperidine hydrobromide

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCN1CCCC(C1)(CC)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-3-10-17-11-6-9-16(4-2,13-17)14-7-5-8-15(18)12-14/h5,7-8,12,18H,3-4,6,9-11,13H2,1-2H3
InChIKey
BLKQDPWBTCODOZ-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 161.8
[M+Na]+ 270.18284 174.3
[M+NH4]+ 265.22744 171.8
[M+K]+ 286.15678 164.4
[M-H]- 246.18634 165.6
[M+Na-2H]- 268.16829 169.9
[M]+ 247.19307 164.8
[M]- 247.19417 164.8
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.