CID 736476

19228-91-2

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC(C)(C)OC(=O)NC1=CSC=C1

InChI

InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)

InChIKey

PRWYQCYSADTIBZ-UHFFFAOYSA-N

Compound name

tert-butyl N-thiophen-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 199.0667 Da
Monoisotopic Mass: 1.7
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]+	200.07398	145.8
[M+Na]+	222.05592	154.2
[M+NH4]+	217.10052	153.6
[M+K]+	238.02986	149.6
[M-H]-	198.05942	146.5
[M+Na-2H]-	220.04137	149.8
[M]+	199.06615	147.4
[M]-	199.06725	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe