CID 125424403

1-(2-bromopyridin-3-yl)piperidin-2-one

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CCN(C(=O)C1)C2=C(N=CC=C2)Br
InChI
InChI=1S/C10H11BrN2O/c11-10-8(4-3-6-12-10)13-7-2-1-5-9(13)14/h3-4,6H,1-2,5,7H2
InChIKey
IRGWFFGDWFMFLT-UHFFFAOYSA-N
Compound name
1-(2-bromopyridin-3-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 147.8
[M+Na]+ 276.99470 151.9
[M+NH4]+ 272.03930 152.6
[M+K]+ 292.96864 151.2
[M-H]- 252.99820 149.3
[M+Na-2H]- 274.98015 152.3
[M]+ 254.00493 147.6
[M]- 254.00603 147.6
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.