CID 178199934

4-bromo-1-ethyl-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
CCN1C=C(C(=O)N1)Br
InChI
InChI=1S/C5H7BrN2O/c1-2-8-3-4(6)5(9)7-8/h3H,2H2,1H3,(H,7,9)
InChIKey
IYBPNVONPXYNIK-UHFFFAOYSA-N
Compound name
4-bromo-2-ethyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.97418 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.981456 128.8
[M+Na]+ 212.963398 142.8
[M-H]- 188.966904 132.1
[M+NH4]+ 208.008003 151.1
[M+K]+ 228.937338 131.9
[M+H-H2O]+ 172.971440 128.9
[M+HCOO]- 234.972381 149.5
[M+CH3COO]- 248.988031 176.6
[M+Na-2H]- 210.948846 136.0
[M]+ 189.97363142 147.2
[M]- 189.97472858 147.2
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.