CID 137935817

(1,4-dimethyl-1h-pyrazol-3-yl)boronic acid

Structural Information

Molecular Formula

C₅H₉BN₂O₂

SMILES

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

InChI

InChI=1S/C5H9BN2O2/c1-4-3-8(2)7-5(4)6(9)10/h3,9-10H,1-2H3

InChIKey

AOAQHNFDDABREB-UHFFFAOYSA-N

Compound name

(1,4-dimethylpyrazol-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 140.07571 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]+	141.08299	127.4
[M+Na]+	163.06493	137.8
[M+NH4]+	158.10953	134.1
[M+K]+	179.03887	136.2
[M-H]-	139.06843	126.0
[M+Na-2H]-	161.05038	131.1
[M]+	140.07516	128.1
[M]-	140.07626	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe