CID 70700892

2-bromo-3-methyl-5h-pyrrolo[2,3-b]pyrazine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(N=C2C=CNC2=N1)Br
InChI
InChI=1S/C7H6BrN3/c1-4-6(8)11-5-2-3-9-7(5)10-4/h2-3H,1H3,(H,9,10)
InChIKey
DKJPISUROVINRP-UHFFFAOYSA-N
Compound name
2-bromo-3-methyl-5H-pyrrolo[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

210.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 133.5
[M+Na]+ 233.96372 148.8
[M-H]- 209.96722 136.9
[M+NH4]+ 229.00832 154.9
[M+K]+ 249.93766 137.0
[M+H-H2O]+ 193.97176 133.3
[M+HCOO]- 255.97270 153.4
[M+CH3COO]- 269.98835 149.4
[M+Na-2H]- 231.94917 143.4
[M]+ 210.97395 153.0
[M]- 210.97505 153.0
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

patents stripe