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

9
Patents

210.9745 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 130.1
[M+Na]+ 233.963718 144.7
[M-H]- 209.967224 131.0
[M+NH4]+ 229.008323 147.4
[M+K]+ 249.937658 132.9
[M+H-H2O]+ 193.971760 122.7
[M+HCOO]- 255.972701 147.2
[M+CH3COO]- 269.988351 194.3
[M+Na-2H]- 231.949166 136.7
[M]+ 210.97395142 140.5
[M]- 210.97504858 140.5
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