CID 3047205

63039-96-3

Structural Information

Molecular Formula
C17H27NO
SMILES
CC(C)C(CCN1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H27NO/c1-15(2)17(19,16-9-5-3-6-10-16)11-14-18-12-7-4-8-13-18/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3
InChIKey
PGLJZBIRHGLPMK-UHFFFAOYSA-N
Compound name
4-methyl-3-phenyl-1-piperidin-1-ylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 166.0
[M+Na]+ 284.19848 167.9
[M-H]- 260.20198 168.1
[M+NH4]+ 279.24308 180.0
[M+K]+ 300.17242 164.3
[M+H-H2O]+ 244.20652 158.0
[M+HCOO]- 306.20746 179.9
[M+CH3COO]- 320.22311 195.3
[M+Na-2H]- 282.18393 168.6
[M]+ 261.20871 160.8
[M]- 261.20981 160.8
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.