CID 3047203

1-(n-piperidyl)-6-methyl-3-phenyl-heptanol hydrochloride

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(C)CCC(CCN1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H31NO/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3
InChIKey
FHTWNTKDXPHJFT-UHFFFAOYSA-N
Compound name
6-methyl-3-phenyl-1-piperidin-1-ylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.24057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 175.0
[M+Na]+ 312.22979 176.0
[M-H]- 288.23329 176.7
[M+NH4]+ 307.27439 187.8
[M+K]+ 328.20373 171.9
[M+H-H2O]+ 272.23783 166.5
[M+HCOO]- 334.23877 188.1
[M+CH3COO]- 348.25442 201.3
[M+Na-2H]- 310.21524 176.5
[M]+ 289.24002 170.5
[M]- 289.24112 170.5
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

patents stripe