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 125.7
[M+Na]+ 164.05944 137.5
[M+NH4]+ 159.10404 133.2
[M+K]+ 180.03338 131.6
[M-H]- 140.06294 126.0
[M+Na-2H]- 162.04489 132.6
[M]+ 141.06967 127.2
[M]- 141.07077 127.2
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