CID 59251837

947249-25-4

Structural Information

Molecular Formula
C8H10BrN3O
SMILES
C1CC(C1)OC2=NC(=CN=C2N)Br
InChI
InChI=1S/C8H10BrN3O/c9-6-4-11-7(10)8(12-6)13-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11)
InChIKey
QWKBWXKNKGGKTQ-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclobutyloxypyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.00072 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.007996 134.9
[M+Na]+ 265.989938 144.8
[M-H]- 241.993444 140.9
[M+NH4]+ 261.034543 147.0
[M+K]+ 281.963878 137.3
[M+H-H2O]+ 225.997980 128.0
[M+HCOO]- 287.998921 153.8
[M+CH3COO]- 302.014571 193.3
[M+Na-2H]- 263.975386 142.7
[M]+ 243.00017142 159.3
[M]- 243.00126858 159.3
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