CID 3047209

63039-98-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.20926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 166.2
[M+Na]+ 284.19848 168.4
[M-H]- 260.20198 168.2
[M+NH4]+ 279.24308 180.2
[M+K]+ 300.17242 164.3
[M+H-H2O]+ 244.20652 158.0
[M+HCOO]- 306.20746 181.0
[M+CH3COO]- 320.22311 194.5
[M+Na-2H]- 282.18393 169.9
[M]+ 261.20871 161.6
[M]- 261.20981 161.6
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.