CID 13182768

Tert-butyl n-(1-benzothiophen-3-yl)carbamate

Structural Information

Molecular Formula
C13H15NO2S
SMILES
CC(C)(C)OC(=O)NC1=CSC2=CC=CC=C21
InChI
InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)
InChIKey
FIERANRXVQECJU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzothiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.08235 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.089626 156.8
[M+Na]+ 272.071568 165.7
[M-H]- 248.075074 162.1
[M+NH4]+ 267.116173 177.7
[M+K]+ 288.045508 162.7
[M+H-H2O]+ 232.079610 151.5
[M+HCOO]- 294.080551 176.1
[M+CH3COO]- 308.096201 192.6
[M+Na-2H]- 270.057016 161.1
[M]+ 249.08180142 162.1
[M]- 249.08289858 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