CID 202127

1-piperazineethanol, beta-(p-fluorophenyl)-4-methyl-

Structural Information

Molecular Formula
C13H19FN2O
SMILES
CN1CCN(CC1)C(CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H19FN2O/c1-15-6-8-16(9-7-15)13(10-17)11-2-4-12(14)5-3-11/h2-5,13,17H,6-10H2,1H3
InChIKey
JOKWMUGHPGVPGY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14815 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.155426 155.9
[M+Na]+ 261.137368 161.0
[M-H]- 237.140874 156.3
[M+NH4]+ 256.181973 169.8
[M+K]+ 277.111308 157.3
[M+H-H2O]+ 221.145410 146.4
[M+HCOO]- 283.146351 170.2
[M+CH3COO]- 297.162001 190.6
[M+Na-2H]- 259.122816 157.7
[M]+ 238.14760142 149.9
[M]- 238.14869858 149.9
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.