CID 11446376

1-ethylpyrazole-4-boronic acid

Structural Information

Molecular Formula

C₅H₉BN₂O₂

SMILES

B(C1=CN(N=C1)CC)(O)O

InChI

InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3

InChIKey

IIBSDEGSGLVNOY-UHFFFAOYSA-N

Compound name

(1-ethylpyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
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	127.6
[M+Na]+	163.06493	137.6
[M+NH4]+	158.10953	134.3
[M+K]+	179.03887	135.8
[M-H]-	139.06843	126.1
[M+Na-2H]-	161.05038	131.5
[M]+	140.07516	128.2
[M]-	140.07626	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe