CID 71748592

5-bromo-3-ethynyl-6-methylpyrazin-2-amine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(N=C(C(=N1)N)C#C)Br
InChI
InChI=1S/C7H6BrN3/c1-3-5-7(9)10-4(2)6(8)11-5/h1H,2H3,(H2,9,10)
InChIKey
FQRKPIHQHAKISO-UHFFFAOYSA-N
Compound name
5-bromo-3-ethynyl-6-methylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.9745 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 138.4
[M+Na]+ 233.96372 142.8
[M+NH4]+ 229.00832 139.9
[M+K]+ 249.93766 139.9
[M-H]- 209.96722 131.8
[M+Na-2H]- 231.94917 139.5
[M]+ 210.97395 135.4
[M]- 210.97505 135.4
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