CID 2808858

N-(4-bromo-1-methyl-1h-pyrazol-5-yl)pivalamide

Structural Information

Molecular Formula
C9H14BrN3O
SMILES
CC(C)(C)C(=O)NC1=C(C=NN1C)Br
InChI
InChI=1S/C9H14BrN3O/c1-9(2,3)8(14)12-7-6(10)5-11-13(7)4/h5H,1-4H3,(H,12,14)
InChIKey
JPZOLCXLKKHBHT-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.032 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03928 151.6
[M+Na]+ 282.02122 163.7
[M-H]- 258.02472 156.1
[M+NH4]+ 277.06582 171.7
[M+K]+ 297.99516 153.1
[M+H-H2O]+ 242.02926 150.6
[M+HCOO]- 304.03020 170.9
[M+CH3COO]- 318.04585 194.6
[M+Na-2H]- 280.00667 157.0
[M]+ 259.03145 171.1
[M]- 259.03255 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.