CID 44118212

1001907-60-3

Structural Information

Molecular Formula

C₈H₉BN₂O₂

SMILES

B(C1=C2C=NN(C2=CC=C1)C)(O)O

InChI

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

InChIKey

MDEHELJMJCXYIU-UHFFFAOYSA-N

Compound name

(1-methylindazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
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	134.2
[M+Na]+	199.06493	146.9
[M+NH4]+	194.10953	141.8
[M+K]+	215.03887	143.9
[M-H]-	175.06843	134.1
[M+Na-2H]-	197.05038	139.6
[M]+	176.07516	135.8
[M]-	176.07626	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe