CID 3047205

1-piperidinepropanol, alpha-isopropyl-alpha-phenyl-, hydrochloride

Structural Information

Molecular Formula
C17H27NO
SMILES
CC(C)C(CCN1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H27NO/c1-15(2)17(19,16-9-5-3-6-10-16)11-14-18-12-7-4-8-13-18/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3
InChIKey
PGLJZBIRHGLPMK-UHFFFAOYSA-N
Compound name
4-methyl-3-phenyl-1-piperidin-1-ylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 166.0
[M+Na]+ 284.198478 167.9
[M-H]- 260.201984 168.1
[M+NH4]+ 279.243083 180.0
[M+K]+ 300.172418 164.3
[M+H-H2O]+ 244.206520 158.0
[M+HCOO]- 306.207461 179.9
[M+CH3COO]- 320.223111 195.3
[M+Na-2H]- 282.183926 168.6
[M]+ 261.20871142 160.8
[M]- 261.20980858 160.8
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.