CID 137965849

2883628-60-0

Structural Information

Molecular Formula

C₅H₆BN₃O₂

SMILES

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

InChI

InChI=1S/C5H6BN3O2/c1-9-5(2-7)4(3-8-9)6(10)11/h3,10-11H,1H3

InChIKey

ZQWVHNBDYRNSJI-UHFFFAOYSA-N

Compound name

(5-cyano-1-methylpyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.05531 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]+	152.06259	128.9
[M+Na]+	174.04453	138.7
[M+NH4]+	169.08913	131.9
[M+K]+	190.01847	134.0
[M-H]-	150.04803	120.3
[M+Na-2H]-	172.02998	130.3
[M]+	151.05476	126.6
[M]-	151.05586	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.