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-bromopyridin-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

239.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 143.5
[M+Na]+ 262.97904 155.4
[M-H]- 238.98254 150.4
[M+NH4]+ 258.02364 164.0
[M+K]+ 278.95298 144.7
[M+H-H2O]+ 222.98708 142.6
[M+HCOO]- 284.98802 163.1
[M+CH3COO]- 299.00367 186.6
[M+Na-2H]- 260.96449 149.3
[M]+ 239.98927 160.2
[M]- 239.99037 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