CID 11263501

847818-55-7

Structural Information

Molecular Formula

C₄H₇BN₂O₂

SMILES

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

InChI

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

InChIKey

RYGOBSYXIIUFOR-UHFFFAOYSA-N

Compound name

(1-methylpyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2128
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	123.1
[M+Na]+	149.04928	133.3
[M+NH4]+	144.09388	130.0
[M+K]+	165.02322	131.8
[M-H]-	125.05278	121.7
[M+Na-2H]-	147.03473	127.3
[M]+	126.05951	123.8
[M]-	126.06061	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe