CID 177798824

5-(6-bromopyridin-3-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C1CC(=O)NC1C2=CN=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2O/c10-8-3-1-6(5-11-8)7-2-4-9(13)12-7/h1,3,5,7H,2,4H2,(H,12,13)
InChIKey
CQQUZCNRXLHJAB-UHFFFAOYSA-N
Compound name
5-(6-bromo-3-pyridinyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 144.5
[M+Na]+ 262.979038 156.0
[M-H]- 238.982544 150.1
[M+NH4]+ 258.023643 164.3
[M+K]+ 278.952978 144.3
[M+H-H2O]+ 222.987080 143.7
[M+HCOO]- 284.988021 162.6
[M+CH3COO]- 299.003671 158.7
[M+Na-2H]- 260.964486 149.8
[M]+ 239.98927142 159.4
[M]- 239.99036858 159.4
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.