CID 21988927

1071455-14-5

Structural Information

Molecular Formula

C₄H₇BN₂O₂

SMILES

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

InChI

InChI=1S/C4H7BN2O2/c1-3-4(5(8)9)2-6-7-3/h2,8-9H,1H3,(H,6,7)

InChIKey

ZYXMOCKFGABUGK-UHFFFAOYSA-N

Compound name

(5-methyl-1H-pyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 126.06006 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]+	127.06734	123.6
[M+Na]+	149.04928	133.2
[M+NH4]+	144.09388	130.1
[M+K]+	165.02322	132.0
[M-H]-	125.05278	121.6
[M+Na-2H]-	147.03473	127.2
[M]+	126.05951	123.9
[M]-	126.06061	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe