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]+ 290.24785 175.1
[M+Na]+ 312.22979 177.1
[M-H]- 288.23329 177.2
[M+NH4]+ 307.27439 188.3
[M+K]+ 328.20373 173.1
[M+H-H2O]+ 272.23783 166.9
[M+HCOO]- 334.23877 188.2
[M+CH3COO]- 348.25442 201.8
[M+Na-2H]- 310.21524 175.8
[M]+ 289.24002 170.9
[M]- 289.24112 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.