CID 3019311

4-(4-phenylbutyl)piperidin-4-ol

Structural Information

Molecular Formula
C15H23NO
SMILES
C1CNCCC1(CCCCC2=CC=CC=C2)O
InChI
InChI=1S/C15H23NO/c17-15(10-12-16-13-11-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13H2
InChIKey
QCBYJMVCSOPSMU-UHFFFAOYSA-N
Compound name
4-(4-phenylbutyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 158.0
[M+Na]+ 256.167178 161.2
[M-H]- 232.170684 159.1
[M+NH4]+ 251.211783 174.4
[M+K]+ 272.141118 156.5
[M+H-H2O]+ 216.175220 150.4
[M+HCOO]- 278.176161 173.7
[M+CH3COO]- 292.191811 185.1
[M+Na-2H]- 254.152626 162.6
[M]+ 233.17741142 151.6
[M]- 233.17850858 151.6
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.