CID 54593544

3-bromo-1-(1-methyl-1h-pyrazol-4-yl)piperidin-2-one

Structural Information

Molecular Formula
C9H12BrN3O
SMILES
CN1C=C(C=N1)N2CCCC(C2=O)Br
InChI
InChI=1S/C9H12BrN3O/c1-12-6-7(5-11-12)13-4-2-3-8(10)9(13)14/h5-6,8H,2-4H2,1H3
InChIKey
TUIXJLZBZLVTQX-UHFFFAOYSA-N
Compound name
3-bromo-1-(1-methylpyrazol-4-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.01636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02364 154.8
[M+Na]+ 280.00558 157.3
[M+NH4]+ 275.05018 158.5
[M+K]+ 295.97952 158.8
[M-H]- 256.00908 154.7
[M+Na-2H]- 277.99103 156.7
[M]+ 257.01581 153.7
[M]- 257.01691 153.7
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.