CID 55263190

2-(5-fluoropyrimidin-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H8FN3
SMILES
C1=C(C=NC(=N1)CCN)F
InChI
InChI=1S/C6H8FN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1-2,8H2
InChIKey
TXAYQICBODFXOX-UHFFFAOYSA-N
Compound name
2-(5-fluoropyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

141.07022 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.077496 126.0
[M+Na]+ 164.059438 135.0
[M-H]- 140.062944 125.4
[M+NH4]+ 159.104043 144.6
[M+K]+ 180.033378 132.6
[M+H-H2O]+ 124.067480 118.0
[M+HCOO]- 186.068421 148.3
[M+CH3COO]- 200.084071 175.6
[M+Na-2H]- 162.044886 134.0
[M]+ 141.06967142 123.4
[M]- 141.07076858 123.4
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