CID 225550

101-00-8

Structural Information

Molecular Formula

C₉H₁₈BNO₃

SMILES

B12OC(CN(CC(O1)C)CC(O2)C)C

InChI

InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3

InChIKey

IWKGJTDSJPLUCE-UHFFFAOYSA-N

Compound name

3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 221
Patents: 199.13797 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]+	200.14525	169.8
[M+Na]+	222.12719	169.8
[M+NH4]+	217.17179	169.8
[M+K]+	238.10113	169.8
[M-H]-	198.13069	169.8
[M+Na-2H]-	220.11264	169.8
[M]+	199.13742	169.8
[M]-	199.13852	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe