CID 84076115

5-bromo-1-methyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
CN1C(=C(C=N1)O)Br
InChI
InChI=1S/C4H5BrN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3
InChIKey
GPFVYAJXKKKVPM-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.95853 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.965806 125.2
[M+Na]+ 198.947748 139.4
[M-H]- 174.951254 128.7
[M+NH4]+ 193.992353 148.1
[M+K]+ 214.921688 129.3
[M+H-H2O]+ 158.955790 125.4
[M+HCOO]- 220.956731 146.0
[M+CH3COO]- 234.972381 174.5
[M+Na-2H]- 196.933196 132.9
[M]+ 175.95798142 144.0
[M]- 175.95907858 144.0
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

patents stripe