CID 68976241

3-amino-1,2-oxaborinan-2-ol hydrochloride

Structural Information

Molecular Formula

C₄H₁₀BNO₂

SMILES

B1(C(CCCO1)N)O

InChI

InChI=1S/C4H10BNO2/c6-4-2-1-3-8-5(4)7/h4,7H,1-3,6H2

InChIKey

QRNXYQKDSVQDON-UHFFFAOYSA-N

Compound name

2-hydroxyoxaborinan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	120.9
[M+Na]+	138.06968	126.6
[M-H]-	114.07318	123.0
[M+NH4]+	133.11428	140.9
[M+K]+	154.04362	127.0
[M+H-H2O]+	98.077720	115.8
[M+HCOO]-	160.07866	140.9
[M+CH3COO]-	174.09431	166.3
[M+Na-2H]-	136.05513	127.4
[M]+	115.07991	115.2
[M]-	115.08101	115.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe