CID 53385549

N-ethyl-5-fluoropyrimidin-2-amine

Structural Information

Molecular Formula
C6H8FN3
SMILES
CCNC1=NC=C(C=N1)F
InChI
InChI=1S/C6H8FN3/c1-2-8-6-9-3-5(7)4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
InChIKey
SGAGTLALNMXHSE-UHFFFAOYSA-N
Compound name
N-ethyl-5-fluoropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.07022 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.077496 125.6
[M+Na]+ 164.059438 134.5
[M-H]- 140.062944 125.5
[M+NH4]+ 159.104043 144.4
[M+K]+ 180.033378 132.5
[M+H-H2O]+ 124.067480 117.5
[M+HCOO]- 186.068421 148.5
[M+CH3COO]- 200.084071 176.2
[M+Na-2H]- 162.044886 134.6
[M]+ 141.06967142 124.0
[M]- 141.07076858 124.0
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