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-fluoropyridin-3-yl)-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]+ 184.12445 139.8
[M+Na]+ 206.10639 146.5
[M-H]- 182.10989 141.8
[M+NH4]+ 201.15099 158.3
[M+K]+ 222.08033 145.4
[M+H-H2O]+ 166.11443 131.6
[M+HCOO]- 228.11537 163.0
[M+CH3COO]- 242.13102 191.2
[M+Na-2H]- 204.09184 144.4
[M]+ 183.11662 137.6
[M]- 183.11772 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.