CID 25000390

942070-72-6

Structural Information

Molecular Formula

C₁₀H₁₇BN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C

InChI

InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-7-13(8)5/h6-7H,1-5H3

InChIKey

SNKPPKAANOYIRX-UHFFFAOYSA-N

Compound name

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 208.1383 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]+	209.145576	138.8
[M+Na]+	231.127518	149.4
[M-H]-	207.131024	145.2
[M+NH4]+	226.172123	160.6
[M+K]+	247.101458	150.4
[M+H-H2O]+	191.135560	134.2
[M+HCOO]-	253.136501	159.1
[M+CH3COO]-	267.152151	185.7
[M+Na-2H]-	229.112966	143.9
[M]+	208.13775142	142.6
[M]-	208.13884858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe