CID 102813292

1594613-27-0

Structural Information

Molecular Formula
C12H18FN3
SMILES
CN1CCN(CC1)C2=CC(=CC(=C2)CN)F
InChI
InChI=1S/C12H18FN3/c1-15-2-4-16(5-3-15)12-7-10(9-14)6-11(13)8-12/h6-8H,2-5,9,14H2,1H3
InChIKey
XYTRDNFWXDWILO-UHFFFAOYSA-N
Compound name
[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15576 152.4
[M+Na]+ 246.13770 158.9
[M-H]- 222.14120 154.1
[M+NH4]+ 241.18230 167.6
[M+K]+ 262.11164 154.8
[M+H-H2O]+ 206.14574 142.8
[M+HCOO]- 268.14668 169.8
[M+CH3COO]- 282.16233 192.7
[M+Na-2H]- 244.12315 155.1
[M]+ 223.14793 145.9
[M]- 223.14903 145.9
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.