CID 71239554

Schembl14662156

Structural Information

Molecular Formula
C13H15NO
SMILES
C#CC1=CC=C(C=C1)N2CCC(CC2)O
InChI
InChI=1S/C13H15NO/c1-2-11-3-5-12(6-4-11)14-9-7-13(15)8-10-14/h1,3-6,13,15H,7-10H2
InChIKey
FZDYPDHAQBBYLW-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 148.2
[M+Na]+ 224.10459 160.9
[M+NH4]+ 219.14919 153.3
[M+K]+ 240.07853 150.6
[M-H]- 200.10809 143.6
[M+Na-2H]- 222.09004 152.2
[M]+ 201.11482 147.9
[M]- 201.11592 147.9
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