CID 10057509

3-fluoro-2,5-dimethylpyrazine

Structural Information

Molecular Formula
C6H7FN2
SMILES
CC1=CN=C(C(=N1)F)C
InChI
InChI=1S/C6H7FN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
InChIKey
GVGWGKKBHKFPEG-UHFFFAOYSA-N
Compound name
3-fluoro-2,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

126.059326 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.066602 120.8
[M+Na]+ 149.048544 131.6
[M-H]- 125.052050 121.2
[M+NH4]+ 144.093149 141.0
[M+K]+ 165.022484 129.9
[M+H-H2O]+ 109.056586 113.6
[M+HCOO]- 171.057527 142.8
[M+CH3COO]- 185.073177 172.7
[M+Na-2H]- 147.033992 128.9
[M]+ 126.05877742 120.4
[M]- 126.05987458 120.4
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