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]+ 262.216536 166.2
[M+Na]+ 284.198478 168.4
[M-H]- 260.201984 168.2
[M+NH4]+ 279.243083 180.2
[M+K]+ 300.172418 164.3
[M+H-H2O]+ 244.206520 158.0
[M+HCOO]- 306.207461 181.0
[M+CH3COO]- 320.223111 194.5
[M+Na-2H]- 282.183926 169.9
[M]+ 261.20871142 161.6
[M]- 261.20980858 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.