CID 83901872

Methyl 3-bromo-5h,6h,7h,8h-imidazo[1,5-a]pyrazine-1-carboxylate dihydrochloride

Structural Information

Molecular Formula
C8H10BrN3O2
SMILES
COC(=O)C1=C2CNCCN2C(=N1)Br
InChI
InChI=1S/C8H10BrN3O2/c1-14-7(13)6-5-4-10-2-3-12(5)8(9)11-6/h10H,2-4H2,1H3
InChIKey
FIIHEKAPDXWFIC-UHFFFAOYSA-N
Compound name
methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.99564 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.00292 148.3
[M+Na]+ 281.98486 159.9
[M-H]- 257.98836 150.4
[M+NH4]+ 277.02946 167.2
[M+K]+ 297.95880 149.3
[M+H-H2O]+ 241.99290 147.5
[M+HCOO]- 303.99384 163.2
[M+CH3COO]- 318.00949 187.9
[M+Na-2H]- 279.97031 153.6
[M]+ 258.99509 165.3
[M]- 258.99619 165.3
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

No patent data available for this compound.