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 148.8
[M+Na]+ 263.97430 151.9
[M+NH4]+ 259.01890 152.7
[M+K]+ 279.94824 153.4
[M-H]- 239.97780 148.8
[M+Na-2H]- 261.95975 152.0
[M]+ 240.98453 147.9
[M]- 240.98563 147.9
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