CID 44119479

1245816-09-4

Structural Information

Molecular Formula

C₈H₉BN₂O₂

SMILES

B(C1=C(C2=C(C=C1)NN=C2)C)(O)O

InChI

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

InChIKey

IZIRYCSGUBTOOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	134.6
[M+Na]+	199.06493	146.8
[M+NH4]+	194.10953	141.9
[M+K]+	215.03887	144.1
[M-H]-	175.06843	134.1
[M+Na-2H]-	197.05038	139.4
[M]+	176.07516	136.0
[M]-	176.07626	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe