CID 44119491

1310405-36-7

Structural Information

Molecular Formula

C₉H₁₁BN₂O₂

SMILES

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

InChI

InChI=1S/C9H11BN2O2/c1-6-7-5-11-12(2)9(7)4-3-8(6)10(13)14/h3-5,13-14H,1-2H3

InChIKey

ATHVOUQWKYPARY-UHFFFAOYSA-N

Compound name

(1,4-dimethylindazol-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 190.09135 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]+	191.09863	138.7
[M+Na]+	213.08057	151.7
[M+NH4]+	208.12517	146.2
[M+K]+	229.05451	148.6
[M-H]-	189.08407	138.7
[M+Na-2H]-	211.06602	143.6
[M]+	190.09080	140.4
[M]-	190.09190	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe