CID 56773861

4-{[(4-fluorophenyl)amino]methyl}piperidin-4-ol

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C1CNCCC1(CNC2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H17FN2O/c13-10-1-3-11(4-2-10)15-9-12(16)5-7-14-8-6-12/h1-4,14-16H,5-9H2
InChIKey
WRXBMRKWIWQHRW-UHFFFAOYSA-N
Compound name
4-[(4-fluoroanilino)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.13249 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13977 150.2
[M+Na]+ 247.12171 154.8
[M-H]- 223.12521 150.7
[M+NH4]+ 242.16631 166.9
[M+K]+ 263.09565 150.3
[M+H-H2O]+ 207.12975 142.1
[M+HCOO]- 269.13069 166.8
[M+CH3COO]- 283.14634 184.9
[M+Na-2H]- 245.10716 155.6
[M]+ 224.13194 141.4
[M]- 224.13304 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.