CID 202127

7542-72-5

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]+ 239.15543 155.9
[M+Na]+ 261.13737 161.0
[M-H]- 237.14087 156.3
[M+NH4]+ 256.18197 169.8
[M+K]+ 277.11131 157.3
[M+H-H2O]+ 221.14541 146.4
[M+HCOO]- 283.14635 170.2
[M+CH3COO]- 297.16200 190.6
[M+Na-2H]- 259.12282 157.7
[M]+ 238.14760 149.9
[M]- 238.14870 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.