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 141.9
[M+Na]+ 255.01035 155.7
[M-H]- 231.01385 146.4
[M+NH4]+ 250.05495 163.6
[M+K]+ 270.98429 145.5
[M+H-H2O]+ 215.01839 141.4
[M+HCOO]- 277.01933 162.8
[M+CH3COO]- 291.03498 189.3
[M+Na-2H]- 252.99580 147.4
[M]+ 232.02058 164.1
[M]- 232.02168 164.1
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.