CID 37818904

Ethyl 3-bromo-5h,6h,7h,8h-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H12BrN3O2
SMILES
CCOC(=O)C1=C(N2CCNCC2=N1)Br
InChI
InChI=1S/C9H12BrN3O2/c1-2-15-9(14)7-8(10)13-4-3-11-5-6(13)12-7/h11H,2-5H2,1H3
InChIKey
JWCFJOJJHYFXSL-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0113 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01858 152.8
[M+Na]+ 296.00052 164.0
[M-H]- 272.00402 154.8
[M+NH4]+ 291.04512 171.2
[M+K]+ 311.97446 153.1
[M+H-H2O]+ 256.00856 151.8
[M+HCOO]- 318.00950 167.4
[M+CH3COO]- 332.02515 190.7
[M+Na-2H]- 293.98597 157.5
[M]+ 273.01075 170.1
[M]- 273.01185 170.1
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.