CID 62478380

1-(5-fluoropyridin-2-yl)-3-methylpiperazine

Structural Information

Molecular Formula
C10H14FN3
SMILES
CC1CN(CCN1)C2=NC=C(C=C2)F
InChI
InChI=1S/C10H14FN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h2-3,6,8,12H,4-5,7H2,1H3
InChIKey
LLWNNOFESZDJJZ-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-2-yl)-3-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.11717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.12445 144.5
[M+Na]+ 218.10639 151.3
[M-H]- 194.10989 143.8
[M+NH4]+ 213.15099 158.9
[M+K]+ 234.08033 147.0
[M+H-H2O]+ 178.11443 134.6
[M+HCOO]- 240.11537 159.2
[M+CH3COO]- 254.13102 154.9
[M+Na-2H]- 216.09184 149.0
[M]+ 195.11662 137.2
[M]- 195.11772 137.2
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

patents stripe