CID 3022004

4-piperidinol, 4-ethynyl-1-phenethyl-

Structural Information

Molecular Formula
C15H19NO
SMILES
C#CC1(CCN(CC1)CCC2=CC=CC=C2)O
InChI
InChI=1S/C15H19NO/c1-2-15(17)9-12-16(13-10-15)11-8-14-6-4-3-5-7-14/h1,3-7,17H,8-13H2
InChIKey
GQNFQDAKDXRFNR-UHFFFAOYSA-N
Compound name
4-ethynyl-1-(2-phenylethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 154.9
[M+Na]+ 252.135888 163.0
[M-H]- 228.139394 156.2
[M+NH4]+ 247.180493 170.5
[M+K]+ 268.109828 155.8
[M+H-H2O]+ 212.143930 141.7
[M+HCOO]- 274.144871 167.0
[M+CH3COO]- 288.160521 194.6
[M+Na-2H]- 250.121336 158.3
[M]+ 229.14612142 145.2
[M]- 229.14721858 145.2
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.