CID 44542669

2-bromo-n-(pyrazin-2-yl)acetamide

Structural Information

Molecular Formula
C6H6BrN3O
SMILES
C1=CN=C(C=N1)NC(=O)CBr
InChI
InChI=1S/C6H6BrN3O/c7-3-6(11)10-5-4-8-1-2-9-5/h1-2,4H,3H2,(H,9,10,11)
InChIKey
WKCWELSTTLPNKW-UHFFFAOYSA-N
Compound name
2-bromo-N-pyrazin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

214.96942 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.976696 132.8
[M+Na]+ 237.958638 143.8
[M-H]- 213.962144 136.5
[M+NH4]+ 233.003243 152.0
[M+K]+ 253.932578 133.3
[M+H-H2O]+ 197.966680 131.4
[M+HCOO]- 259.967621 153.8
[M+CH3COO]- 273.983271 184.2
[M+Na-2H]- 235.944086 143.0
[M]+ 214.96887142 150.6
[M]- 214.96996858 150.6
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