CID 165739290

1-[2-fluoro-6-(hydroxymethyl)phenyl]piperidine-4-carbonitrile

Structural Information

Molecular Formula
C13H15FN2O
SMILES
C1CN(CCC1C#N)C2=C(C=CC=C2F)CO
InChI
InChI=1S/C13H15FN2O/c14-12-3-1-2-11(9-17)13(12)16-6-4-10(8-15)5-7-16/h1-3,10,17H,4-7,9H2
InChIKey
UUONZKUMJFWDAU-UHFFFAOYSA-N
Compound name
1-[2-fluoro-6-(hydroxymethyl)phenyl]piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11684 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12412 149.9
[M+Na]+ 257.10606 158.5
[M-H]- 233.10956 151.3
[M+NH4]+ 252.15066 164.0
[M+K]+ 273.08000 153.0
[M+H-H2O]+ 217.11410 135.3
[M+HCOO]- 279.11504 163.7
[M+CH3COO]- 293.13069 200.8
[M+Na-2H]- 255.09151 152.3
[M]+ 234.11629 139.8
[M]- 234.11739 139.8
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.