CID 76963830

1328893-13-5

Structural Information

Molecular Formula
C5H6BrN3O
SMILES
CNC(=O)C1=NNC(=C1)Br
InChI
InChI=1S/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)
InChIKey
LOYJZLKXTLAMJX-UHFFFAOYSA-N
Compound name
5-bromo-N-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

202.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.976696 133.2
[M+Na]+ 225.958638 145.1
[M-H]- 201.962144 136.2
[M+NH4]+ 221.003243 154.2
[M+K]+ 241.932578 134.2
[M+H-H2O]+ 185.966680 132.1
[M+HCOO]- 247.967621 153.8
[M+CH3COO]- 261.983271 180.1
[M+Na-2H]- 223.944086 140.2
[M]+ 202.96887142 149.8
[M]- 202.96996858 149.8
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.