CID 6485406

5-fluoro-2-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C11H16FN3
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)F)N
InChI
InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey
MEVYGYSJGBINCG-UHFFFAOYSA-N
Compound name
5-fluoro-2-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

209.13283 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14011 147.9
[M+Na]+ 232.12205 154.9
[M-H]- 208.12555 149.8
[M+NH4]+ 227.16665 163.7
[M+K]+ 248.09599 151.0
[M+H-H2O]+ 192.13009 138.5
[M+HCOO]- 254.13103 165.6
[M+CH3COO]- 268.14668 189.6
[M+Na-2H]- 230.10750 151.1
[M]+ 209.13228 141.0
[M]- 209.13338 141.0
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