CID 13182766

Tert-butyl n-(1-benzothiophen-2-yl)carbamate

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

32
Patents

249.08235 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08963 156.8
[M+Na]+ 272.07157 165.7
[M-H]- 248.07507 162.1
[M+NH4]+ 267.11617 177.7
[M+K]+ 288.04551 162.7
[M+H-H2O]+ 232.07961 151.5
[M+HCOO]- 294.08055 176.1
[M+CH3COO]- 308.09620 192.6
[M+Na-2H]- 270.05702 161.1
[M]+ 249.08180 162.1
[M]- 249.08290 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe