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

10
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 130.1
[M+Na]+ 233.96372 144.7
[M-H]- 209.96722 131.0
[M+NH4]+ 229.00832 147.4
[M+K]+ 249.93766 132.9
[M+H-H2O]+ 193.97176 122.7
[M+HCOO]- 255.97270 147.2
[M+CH3COO]- 269.98835 194.3
[M+Na-2H]- 231.94917 136.7
[M]+ 210.97395 140.5
[M]- 210.97505 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