CID 165758870

4-bromo-1-[(2-methoxyethoxy)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C7H11BrN2O2
SMILES
COCCOCN1C=C(C=N1)Br
InChI
InChI=1S/C7H11BrN2O2/c1-11-2-3-12-6-10-5-7(8)4-9-10/h4-5H,2-3,6H2,1H3
InChIKey
ZUCXPLLVLNYIJP-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-methoxyethoxymethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0004 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00768 148.8
[M+Na]+ 256.98962 150.6
[M+NH4]+ 252.03422 152.4
[M+K]+ 272.96356 152.3
[M-H]- 232.99312 147.2
[M+Na-2H]- 254.97507 150.3
[M]+ 233.99985 147.2
[M]- 234.00095 147.2
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.