CID 11171100

847818-62-6

Structural Information

Molecular Formula

C₆H₁₁BN₂O₂

SMILES

B(C1=C(N(N=C1C)C)C)(O)O

InChI

InChI=1S/C6H11BN2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h10-11H,1-3H3

InChIKey

AWOUMBMZDWJMGM-UHFFFAOYSA-N

Compound name

(1,3,5-trimethylpyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 154.09135 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]+	155.09863	131.8
[M+Na]+	177.08057	142.4
[M+NH4]+	172.12517	138.4
[M+K]+	193.05451	140.7
[M-H]-	153.08407	130.4
[M+Na-2H]-	175.06602	135.0
[M]+	154.09080	132.6
[M]-	154.09190	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe