CID 83900032

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

Structural Information

Molecular Formula
C7H8BrN3O2
SMILES
C1CN2C(=C(N=C2Br)C(=O)O)CN1
InChI
InChI=1S/C7H8BrN3O2/c8-7-10-5(6(12)13)4-3-9-1-2-11(4)7/h9H,1-3H2,(H,12,13)
InChIKey
OQNLFTQGZOFQAE-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98728 144.5
[M+Na]+ 267.96922 155.9
[M-H]- 243.97272 145.4
[M+NH4]+ 263.01382 163.1
[M+K]+ 283.94316 144.6
[M+H-H2O]+ 227.97726 144.0
[M+HCOO]- 289.97820 158.3
[M+CH3COO]- 303.99385 183.5
[M+Na-2H]- 265.95467 149.8
[M]+ 244.97945 159.4
[M]- 244.98055 159.4
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

No patent data available for this compound.