CID 28965230

1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C1CN(CCC1O)C2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C12H17FN2O/c13-11-7-9(8-14)1-2-12(11)15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2
InChIKey
PJBQAMWFYBKREY-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13249 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.139766 150.8
[M+Na]+ 247.121708 156.8
[M-H]- 223.125214 152.6
[M+NH4]+ 242.166313 166.5
[M+K]+ 263.095648 152.6
[M+H-H2O]+ 207.129750 142.3
[M+HCOO]- 269.130691 168.3
[M+CH3COO]- 283.146341 189.5
[M+Na-2H]- 245.107156 153.0
[M]+ 224.13194142 143.4
[M]- 224.13303858 143.4
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

No patent data available for this compound.