CID 60146083

1047636-97-4

Structural Information

Molecular Formula

C₉H₁₆BN₃O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=NN2C

InChI

InChI=1S/C9H16BN3O2/c1-8(2)9(3,4)15-10(14-8)7-6-11-12-13(7)5/h6H,1-5H3

InChIKey

BPWNCFRKHZLWOV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 209.13356 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]+	210.14084	141.8
[M+Na]+	232.12278	153.3
[M+NH4]+	227.16738	151.5
[M+K]+	248.09672	149.7
[M-H]-	208.12628	145.0
[M+Na-2H]-	230.10823	148.5
[M]+	209.13301	144.6
[M]-	209.13411	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe