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]+ 235.007676 140.7
[M+Na]+ 256.989618 153.0
[M-H]- 232.993124 144.5
[M+NH4]+ 252.034223 161.6
[M+K]+ 272.963558 143.6
[M+H-H2O]+ 216.997660 139.7
[M+HCOO]- 278.998601 162.1
[M+CH3COO]- 293.014251 186.2
[M+Na-2H]- 254.975066 148.0
[M]+ 233.99985142 163.2
[M]- 234.00094858 163.2
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.