CID 49853518

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

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C1CC(=O)N(C1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2O/c10-7-3-4-8(11-6-7)12-5-1-2-9(12)13/h3-4,6H,1-2,5H2
InChIKey
BZJQQRCFYKSQKX-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-pyridinyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

239.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 143.5
[M+Na]+ 262.979038 155.4
[M-H]- 238.982544 150.4
[M+NH4]+ 258.023643 164.0
[M+K]+ 278.952978 144.7
[M+H-H2O]+ 222.987080 142.6
[M+HCOO]- 284.988021 163.1
[M+CH3COO]- 299.003671 186.6
[M+Na-2H]- 260.964486 149.3
[M]+ 239.98927142 160.2
[M]- 239.99036858 160.2
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