CID 129962717

2309475-05-4

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C1CC1(C2=CC(=CNC2=O)Br)N
InChI
InChI=1S/C8H9BrN2O/c9-5-3-6(7(12)11-4-5)8(10)1-2-8/h3-4H,1-2,10H2,(H,11,12)
InChIKey
CFKWGBWDHBHQHN-UHFFFAOYSA-N
Compound name
3-(1-aminocyclopropyl)-5-bromo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98982 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 135.1
[M+Na]+ 250.97904 139.9
[M+NH4]+ 246.02364 141.5
[M+K]+ 266.95298 140.1
[M-H]- 226.98254 142.4
[M+Na-2H]- 248.96449 143.0
[M]+ 227.98927 137.8
[M]- 227.99037 137.8
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.