CID 3048990

1-piperidineethanol, beta-(p-fluorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C14H20FNO
SMILES
C1CCN(CC1)C(CC2=CC=C(C=C2)F)CO
InChI
InChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)10-14(11-17)16-8-2-1-3-9-16/h4-7,14,17H,1-3,8-11H2
InChIKey
KXYHIXHNRZQCJK-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1529 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16018 155.7
[M+Na]+ 260.14212 159.4
[M-H]- 236.14562 157.0
[M+NH4]+ 255.18672 170.8
[M+K]+ 276.11606 155.6
[M+H-H2O]+ 220.15016 146.7
[M+HCOO]- 282.15110 171.0
[M+CH3COO]- 296.16675 189.7
[M+Na-2H]- 258.12757 157.7
[M]+ 237.15235 149.2
[M]- 237.15345 149.2
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.