CID 67449598

1086063-70-8

Structural Information

Molecular Formula

C₅H₉BN₂O₃

SMILES

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

InChI

InChI=1S/C5H9BN2O3/c9-2-1-8-4-5(3-7-8)6(10)11/h3-4,9-11H,1-2H2

InChIKey

MBKIXFIUNGSYBW-UHFFFAOYSA-N

Compound name

[1-(2-hydroxyethyl)pyrazol-4-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 156.07062 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]+	157.07790	130.2
[M+Na]+	179.05984	138.0
[M-H]-	155.06334	127.4
[M+NH4]+	174.10444	148.2
[M+K]+	195.03378	136.3
[M+H-H2O]+	139.06788	123.9
[M+HCOO]-	201.06882	149.1
[M+CH3COO]-	215.08447	167.5
[M+Na-2H]-	177.04529	134.3
[M]+	156.07007	129.0
[M]-	156.07117	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe