CID 62129265

4-bromo-1-(2-methoxyethyl)-3,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C8H13BrN2O
SMILES
CC1=C(C(=NN1CCOC)C)Br
InChI
InChI=1S/C8H13BrN2O/c1-6-8(9)7(2)11(10-6)4-5-12-3/h4-5H2,1-3H3
InChIKey
NARHZUXBMVAAAP-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02841 149.1
[M+Na]+ 255.01035 151.8
[M+NH4]+ 250.05495 153.0
[M+K]+ 270.98429 153.2
[M-H]- 231.01385 148.0
[M+Na-2H]- 252.99580 150.4
[M]+ 232.02058 147.9
[M]- 232.02168 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.