CID 574072

Trimethylboroxine

Structural Information

Molecular Formula

C₃H₉B₃O₃

SMILES

B1(OB(OB(O1)C)C)C

InChI

InChI=1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3

InChIKey

GBBSAMQTQCPOBF-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13216
Patents: 126.083084 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]+	127.09036	120.3
[M+Na]+	149.07230	128.2
[M-H]-	125.07581	126.1
[M+NH4]+	144.11691	139.2
[M+K]+	165.04624	132.3
[M+H-H2O]+	109.08034	115.7
[M+HCOO]-	171.08128	139.7
[M+CH3COO]-	185.09694	170.4
[M+Na-2H]-	147.05775	129.5
[M]+	126.08254	121.8
[M]-	126.08363	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe