CID 2773987

761446-44-0

Structural Information

Molecular Formula

C₁₀H₁₇BN₂O₂

SMILES

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

InChI

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

InChIKey

UCNGGGYMLHAMJG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8752
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]+	209.14558	141.9
[M+Na]+	231.12752	153.3
[M+NH4]+	226.17212	152.2
[M+K]+	247.10146	149.2
[M-H]-	207.13102	145.9
[M+Na-2H]-	229.11297	148.8
[M]+	208.13775	144.9
[M]-	208.13885	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe