CID 23381199

5-fluoro-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6FN3
SMILES
CC1=NC=C(C(=N1)N)F
InChI
InChI=1S/C5H6FN3/c1-3-8-2-4(6)5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey
QGOGAEOIYYTKRM-UHFFFAOYSA-N
Compound name
5-fluoro-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

127.05457 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06185 121.6
[M+Na]+ 150.04379 132.0
[M-H]- 126.04729 121.7
[M+NH4]+ 145.08839 141.2
[M+K]+ 166.01773 129.9
[M+H-H2O]+ 110.05183 114.2
[M+HCOO]- 172.05277 144.3
[M+CH3COO]- 186.06842 173.6
[M+Na-2H]- 148.02924 129.4
[M]+ 127.05402 119.1
[M]- 127.05512 119.1
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