CID 469543

Pyrrolidin-2-ylboronic acid

Structural Information

Molecular Formula

C₄H₁₀BNO₂

SMILES

B(C1CCCN1)(O)O

InChI

InChI=1S/C4H10BNO2/c7-5(8)4-2-1-3-6-4/h4,6-8H,1-3H2

InChIKey

VEBQYHFHXCAREJ-UHFFFAOYSA-N

Compound name

pyrrolidin-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 115.08046 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]+	116.08774	123.5
[M+Na]+	138.06968	128.9
[M-H]-	114.07318	121.2
[M+NH4]+	133.11428	144.1
[M+K]+	154.04362	127.4
[M+H-H2O]+	98.077720	118.3
[M+HCOO]-	160.07866	140.8
[M+CH3COO]-	174.09431	159.1
[M+Na-2H]-	136.05513	126.8
[M]+	115.07991	116.7
[M]-	115.08101	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe