CID 45787842

1-(5-bromopyrazin-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H8BrN3O
SMILES
C1CC(=O)N(C1)C2=CN=C(C=N2)Br
InChI
InChI=1S/C8H8BrN3O/c9-6-4-11-7(5-10-6)12-3-1-2-8(12)13/h4-5H,1-3H2
InChIKey
NFTRIXVTYIJOHF-UHFFFAOYSA-N
Compound name
1-(5-bromopyrazin-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

240.98508 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99236 141.8
[M+Na]+ 263.97430 154.2
[M-H]- 239.97780 147.5
[M+NH4]+ 259.01890 161.0
[M+K]+ 279.94824 143.6
[M+H-H2O]+ 223.98234 140.4
[M+HCOO]- 285.98328 160.6
[M+CH3COO]- 299.99893 156.5
[M+Na-2H]- 261.95975 148.2
[M]+ 240.98453 158.7
[M]- 240.98563 158.7
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