CID 139594270

Dtxsid101029466

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CN2CCCCC2)CO
InChI
InChI=1S/C19H31NO/c1-19(2,3)18-9-7-16(8-10-18)13-17(15-21)14-20-11-5-4-6-12-20/h7-10,17,21H,4-6,11-15H2,1-3H3
InChIKey
AYIBEQIGTYSKHG-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.247846 175.1
[M+Na]+ 312.229788 177.1
[M-H]- 288.233294 177.2
[M+NH4]+ 307.274393 188.3
[M+K]+ 328.203728 173.1
[M+H-H2O]+ 272.237830 166.9
[M+HCOO]- 334.238771 188.2
[M+CH3COO]- 348.254421 201.8
[M+Na-2H]- 310.215236 175.8
[M]+ 289.24002142 170.9
[M]- 289.24111858 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.