CID 22147341

535934-70-4

Structural Information

Molecular Formula

C₈H₁₃BN₂O₂

SMILES

B(C1=CN=C(C=C1C)N(C)C)(O)O

InChI

InChI=1S/C8H13BN2O2/c1-6-4-8(11(2)3)10-5-7(6)9(12)13/h4-5,12-13H,1-3H3

InChIKey

CVPDQSRAEJAOCP-UHFFFAOYSA-N

Compound name

[6-(dimethylamino)-4-methylpyridin-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 180.10701 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]+	181.11429	138.1
[M+Na]+	203.09623	149.1
[M+NH4]+	198.14083	145.2
[M+K]+	219.07017	145.2
[M-H]-	179.09973	139.0
[M+Na-2H]-	201.08168	143.4
[M]+	180.10646	139.7
[M]-	180.10756	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe