CID 44119480

6-methyl-1h-indazole-5-boronic acid

Structural Information

Molecular Formula
C8H9BN2O2
SMILES
B(C1=CC2=C(C=C1C)NN=C2)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-5-2-8-6(4-10-11-8)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKey
AVTBPALNUPBIAS-UHFFFAOYSA-N
Compound name
(6-methyl-1H-indazol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

176.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082986 134.1
[M+Na]+ 199.064928 144.2
[M-H]- 175.068434 133.0
[M+NH4]+ 194.109533 152.9
[M+K]+ 215.038868 140.2
[M+H-H2O]+ 159.072970 128.2
[M+HCOO]- 221.073911 153.2
[M+CH3COO]- 235.089561 172.9
[M+Na-2H]- 197.050376 140.1
[M]+ 176.07516142 133.5
[M]- 176.07625858 133.5
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