CID 45791238

3-(4-bromo-1h-pyrazol-1-yl)propanamide

Structural Information

Molecular Formula
C6H8BrN3O
SMILES
C1=C(C=NN1CCC(=O)N)Br
InChI
InChI=1S/C6H8BrN3O/c7-5-3-9-10(4-5)2-1-6(8)11/h3-4H,1-2H2,(H2,8,11)
InChIKey
FOMDURNFVFITBG-UHFFFAOYSA-N
Compound name
3-(4-bromopyrazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.98508 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99236 137.3
[M+Na]+ 239.97430 149.1
[M-H]- 215.97780 140.9
[M+NH4]+ 235.01890 158.0
[M+K]+ 255.94824 138.5
[M+H-H2O]+ 199.98234 135.8
[M+HCOO]- 261.98328 158.3
[M+CH3COO]- 275.99893 185.3
[M+Na-2H]- 237.95975 143.2
[M]+ 216.98453 155.0
[M]- 216.98563 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.