CID 83390688

2-[4-bromo-1-(propan-2-yl)-1h-pyrazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C8H13BrN2O
SMILES
CC(C)N1C(=C(C=N1)Br)CCO
InChI
InChI=1S/C8H13BrN2O/c1-6(2)11-8(3-4-12)7(9)5-10-11/h5-6,12H,3-4H2,1-2H3
InChIKey
JJSZJCWYNVLMEF-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-propan-2-ylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02113 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02841 144.2
[M+Na]+ 255.01035 156.4
[M-H]- 231.01385 147.2
[M+NH4]+ 250.05495 164.9
[M+K]+ 270.98429 145.7
[M+H-H2O]+ 215.01839 143.7
[M+HCOO]- 277.01933 162.8
[M+CH3COO]- 291.03498 186.5
[M+Na-2H]- 252.99580 148.6
[M]+ 232.02058 163.7
[M]- 232.02168 163.7
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.