CID 13182766

Tert-butyl benzo[b]thiophen-2-ylcarbamate

Structural Information

Molecular Formula

C₁₃H₁₅NO₂S

SMILES

CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-11-8-9-6-4-5-7-10(9)17-11/h4-8H,1-3H3,(H,14,15)

InChIKey

CNFLHJOYSZBEEL-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-benzothiophen-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 249.08235 Da
Monoisotopic Mass: 3.8
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]+	250.08963	156.3
[M+Na]+	272.07157	167.3
[M+NH4]+	267.11617	165.0
[M+K]+	288.04551	161.2
[M-H]-	248.07507	158.4
[M+Na-2H]-	270.05702	161.8
[M]+	249.08180	158.9
[M]-	249.08290	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe