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]+ 225.13977 150.8
[M+Na]+ 247.12171 156.8
[M-H]- 223.12521 152.6
[M+NH4]+ 242.16631 166.5
[M+K]+ 263.09565 152.6
[M+H-H2O]+ 207.12975 142.3
[M+HCOO]- 269.13069 168.3
[M+CH3COO]- 283.14634 189.5
[M+Na-2H]- 245.10716 153.0
[M]+ 224.13194 143.4
[M]- 224.13304 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.