CID 24885561

596819-10-2

Structural Information

Molecular Formula

C₁₅H₂₀BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-11-8-6-7-9-12(11)17(13)5/h6-10H,1-5H3

InChIKey

KMLZZUZKSQWHKC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 257.15872 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]+	258.165996	153.3
[M+Na]+	280.147938	165.4
[M-H]-	256.151444	162.5
[M+NH4]+	275.192543	175.9
[M+K]+	296.121878	164.1
[M+H-H2O]+	240.155980	148.7
[M+HCOO]-	302.156921	174.5
[M+CH3COO]-	316.172571	168.2
[M+Na-2H]-	278.133386	158.4
[M]+	257.15817142	159.1
[M]-	257.15926858	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe