CID 6451912

Tetrahydro-2-hydroxy-4h-1,3,6,2-dioxazaborocine

Structural Information

Molecular Formula

C₄H₁₀BNO₃

SMILES

B1(OCCNCCO1)O

InChI

InChI=1S/C4H10BNO3/c7-5-8-3-1-6-2-4-9-5/h6-7H,1-4H2

InChIKey

ZGHXEEFARUMNRD-UHFFFAOYSA-N

Compound name

2-hydroxy-1,3,6,2-dioxazaborocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.07538 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]+	132.08266	135.2
[M+Na]+	154.06460	139.4
[M-H]-	130.06810	135.7
[M+NH4]+	149.10920	142.7
[M+K]+	170.03854	141.1
[M+H-H2O]+	114.07264	131.9
[M+HCOO]-	176.07358	142.5
[M+CH3COO]-	190.08923	213.6
[M+Na-2H]-	152.05005	137.7
[M]+	131.07483	133.2
[M]-	131.07593	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.