CID 71239554

1-(4-ethynylphenyl)piperidin-4-ol

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 145.7
[M+Na]+ 224.10459 154.2
[M-H]- 200.10809 147.1
[M+NH4]+ 219.14919 160.6
[M+K]+ 240.07853 148.0
[M+H-H2O]+ 184.11263 132.5
[M+HCOO]- 246.11357 158.3
[M+CH3COO]- 260.12922 155.5
[M+Na-2H]- 222.09004 148.6
[M]+ 201.11482 135.4
[M]- 201.11592 135.4
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