CID 125528402

2-fluoro-3-propoxypyrazine

Structural Information

Molecular Formula
C7H9FN2O
SMILES
CCCOC1=NC=CN=C1F
InChI
InChI=1S/C7H9FN2O/c1-2-5-11-7-6(8)9-3-4-10-7/h3-4H,2,5H2,1H3
InChIKey
CLGNJXZXGJJPDD-UHFFFAOYSA-N
Compound name
2-fluoro-3-propoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.077166 129.1
[M+Na]+ 179.059108 138.4
[M-H]- 155.062614 128.9
[M+NH4]+ 174.103713 147.7
[M+K]+ 195.033048 136.8
[M+H-H2O]+ 139.067150 121.1
[M+HCOO]- 201.068091 150.9
[M+CH3COO]- 215.083741 176.5
[M+Na-2H]- 177.044556 137.2
[M]+ 156.06934142 130.0
[M]- 156.07043858 130.0
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

No patent data available for this compound.