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

11
Patents

141.07022 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07750 126.0
[M+Na]+ 164.05944 135.0
[M-H]- 140.06294 125.4
[M+NH4]+ 159.10404 144.6
[M+K]+ 180.03338 132.6
[M+H-H2O]+ 124.06748 118.0
[M+HCOO]- 186.06842 148.3
[M+CH3COO]- 200.08407 175.6
[M+Na-2H]- 162.04489 134.0
[M]+ 141.06967 123.4
[M]- 141.07077 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