CID 79093282

[2-amino-2-(5-fluoropyridin-3-yl)ethyl]dimethylamine trihydrochloride

Structural Information

Molecular Formula
C9H14FN3
SMILES
CN(C)CC(C1=CC(=CN=C1)F)N
InChI
InChI=1S/C9H14FN3/c1-13(2)6-9(11)7-3-8(10)5-12-4-7/h3-5,9H,6,11H2,1-2H3
InChIKey
BNBUTXGDBSAZJV-UHFFFAOYSA-N
Compound name
1-(5-fluoro-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.11717 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.124446 139.8
[M+Na]+ 206.106388 146.5
[M-H]- 182.109894 141.8
[M+NH4]+ 201.150993 158.3
[M+K]+ 222.080328 145.4
[M+H-H2O]+ 166.114430 131.6
[M+HCOO]- 228.115371 163.0
[M+CH3COO]- 242.131021 191.2
[M+Na-2H]- 204.091836 144.4
[M]+ 183.11662142 137.6
[M]- 183.11771858 137.6
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.