CID 49760453

(3-aminopyridin-4-yl)boronic acid dihydrochloride

Structural Information

Molecular Formula

C₅H₇BN₂O₂

SMILES

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

InChI

InChI=1S/C5H7BN2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H,7H2

InChIKey

VSJVMVCWCYSIPI-UHFFFAOYSA-N

Compound name

(3-aminopyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 138.06006 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]+	139.06734	125.1
[M+Na]+	161.04928	135.8
[M+NH4]+	156.09388	132.3
[M+K]+	177.02322	132.1
[M-H]-	137.05278	125.5
[M+Na-2H]-	159.03473	130.7
[M]+	138.05951	126.4
[M]-	138.06061	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe