CID 416903

Ns00058768

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CNCCC1(CCCC2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c16-14(9-11-15-12-10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,15-16H,4,7-12H2
InChIKey
MRKWQCUGCSVVFJ-UHFFFAOYSA-N
Compound name
4-(3-phenylpropyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.7
[M+Na]+ 242.151528 157.3
[M-H]- 218.155034 154.9
[M+NH4]+ 237.196133 170.7
[M+K]+ 258.125468 152.8
[M+H-H2O]+ 202.159570 146.2
[M+HCOO]- 264.160511 169.7
[M+CH3COO]- 278.176161 182.1
[M+Na-2H]- 240.136976 158.8
[M]+ 219.16176142 146.9
[M]- 219.16285858 146.9
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.