CID 43121028

(3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)methanol

Structural Information

Molecular Formula
C12H17FN2O
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)CO)F
InChI
InChI=1S/C12H17FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8,16H,4-7,9H2,1H3
InChIKey
ZASYEYNRJJRDFF-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

224.13249 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.139766 151.5
[M+Na]+ 247.121708 158.4
[M-H]- 223.125214 152.4
[M+NH4]+ 242.166313 166.5
[M+K]+ 263.095648 154.4
[M+H-H2O]+ 207.129750 142.3
[M+HCOO]- 269.130691 167.2
[M+CH3COO]- 283.146341 187.9
[M+Na-2H]- 245.107156 154.4
[M]+ 224.13194142 146.3
[M]- 224.13303858 146.3
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

patents stripe