CID 50994814

1414958-45-4

Structural Information

Molecular Formula
C6H8FN3
SMILES
CC(C1=NC=C(C=N1)F)N
InChI
InChI=1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3
InChIKey
AHCHUPFJXHQIRC-UHFFFAOYSA-N
Compound name
1-(5-fluoropyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

141.07022 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.077496 126.5
[M+Na]+ 164.059438 135.2
[M-H]- 140.062944 126.1
[M+NH4]+ 159.104043 145.1
[M+K]+ 180.033378 133.3
[M+H-H2O]+ 124.067480 118.6
[M+HCOO]- 186.068421 147.8
[M+CH3COO]- 200.084071 176.4
[M+Na-2H]- 162.044886 133.3
[M]+ 141.06967142 123.3
[M]- 141.07076858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe