CID 44119475

1245816-10-7

Structural Information

Molecular Formula

C₈H₉BN₂O₂

SMILES

B(C1=C(C=CC2=C1C=NN2)C)(O)O

InChI

InChI=1S/C8H9BN2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)

InChIKey

HRURFOBSNYPWDM-UHFFFAOYSA-N

Compound name

(5-methyl-1H-indazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 425
Patents: 176.07571 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.08299	134.1
[M+Na]+	199.06493	144.2
[M-H]-	175.06843	133.0
[M+NH4]+	194.10953	152.9
[M+K]+	215.03887	140.2
[M+H-H2O]+	159.07297	128.2
[M+HCOO]-	221.07391	153.2
[M+CH3COO]-	235.08956	172.9
[M+Na-2H]-	197.05038	140.1
[M]+	176.07516	133.5
[M]-	176.07626	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe