CID 119056332

3-(3-bromo-1h-pyrazol-1-yl)propanamide

Structural Information

Molecular Formula
C6H8BrN3O
SMILES
C1=CN(N=C1Br)CCC(=O)N
InChI
InChI=1S/C6H8BrN3O/c7-5-1-3-10(9-5)4-2-6(8)11/h1,3H,2,4H2,(H2,8,11)
InChIKey
RZUDQJNXLBTTLN-UHFFFAOYSA-N
Compound name
3-(3-bromopyrazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.98508 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.992356 137.3
[M+Na]+ 239.974298 149.1
[M-H]- 215.977804 140.9
[M+NH4]+ 235.018903 158.0
[M+K]+ 255.948238 138.5
[M+H-H2O]+ 199.982340 135.8
[M+HCOO]- 261.983281 158.3
[M+CH3COO]- 275.998931 185.3
[M+Na-2H]- 237.959746 143.2
[M]+ 216.98453142 155.0
[M]- 216.98562858 155.0
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.