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]+ 235.124116 149.9
[M+Na]+ 257.106058 158.5
[M-H]- 233.109564 151.3
[M+NH4]+ 252.150663 164.0
[M+K]+ 273.079998 153.0
[M+H-H2O]+ 217.114100 135.3
[M+HCOO]- 279.115041 163.7
[M+CH3COO]- 293.130691 200.8
[M+Na-2H]- 255.091506 152.3
[M]+ 234.11629142 139.8
[M]- 234.11738858 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.