CID 44119216

2-methylindazole-4-boronic acid

Structural Information

Molecular Formula

C₈H₉BN₂O₂

SMILES

B(C1=CC=CC2=NN(C=C12)C)(O)O

InChI

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

InChIKey

KLESGUYTRALUBQ-UHFFFAOYSA-N

Compound name

(2-methylindazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	133.5
[M+Na]+	199.06493	144.0
[M-H]-	175.06843	133.8
[M+NH4]+	194.10953	153.0
[M+K]+	215.03887	140.9
[M+H-H2O]+	159.07297	127.3
[M+HCOO]-	221.07391	154.1
[M+CH3COO]-	235.08956	175.3
[M+Na-2H]-	197.05038	140.0
[M]+	176.07516	134.7
[M]-	176.07626	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe