CID 43188731

1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C13H20FN3
SMILES
CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)N
InChI
InChI=1S/C13H20FN3/c1-10(15)12-9-11(14)3-4-13(12)17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,15H2,1-2H3
InChIKey
HLPGRTXQCLEWBN-UHFFFAOYSA-N
Compound name
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16412 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.17140 157.0
[M+Na]+ 260.15334 162.8
[M-H]- 236.15684 158.7
[M+NH4]+ 255.19794 171.6
[M+K]+ 276.12728 159.0
[M+H-H2O]+ 220.16138 147.4
[M+HCOO]- 282.16232 173.1
[M+CH3COO]- 296.17797 196.6
[M+Na-2H]- 258.13879 158.0
[M]+ 237.16357 150.2
[M]- 237.16467 150.2
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.