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]+ 230.15395 154.9
[M+Na]+ 252.13589 163.0
[M-H]- 228.13939 156.2
[M+NH4]+ 247.18049 170.5
[M+K]+ 268.10983 155.8
[M+H-H2O]+ 212.14393 141.7
[M+HCOO]- 274.14487 167.0
[M+CH3COO]- 288.16052 194.6
[M+Na-2H]- 250.12134 158.3
[M]+ 229.14612 145.2
[M]- 229.14722 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.