CID 2734772

269410-24-4

Structural Information

Molecular Formula

C₁₄H₁₈BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3

InChIKey

FATPQDPUKVVCLT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 644
Patents: 243.14307 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]+	244.15035	150.5
[M+Na]+	266.13229	161.7
[M-H]-	242.13579	158.1
[M+NH4]+	261.17689	172.6
[M+K]+	282.10623	159.8
[M+H-H2O]+	226.14033	145.9
[M+HCOO]-	288.14127	170.5
[M+CH3COO]-	302.15692	164.7
[M+Na-2H]-	264.11774	156.2
[M]+	243.14252	153.7
[M]-	243.14362	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe