CID 13910

1016-46-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S

SMILES

CN(C)C(=O)OC1=C2C=CSC2=CC=C1

InChI

InChI=1S/C11H11NO2S/c1-12(2)11(13)14-9-4-3-5-10-8(9)6-7-15-10/h3-7H,1-2H3

InChIKey

NUELYOQGOJBUHL-UHFFFAOYSA-N

Compound name

1-benzothiophen-4-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.05106 Da
Monoisotopic Mass: 2.7
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]+	222.05834	146.8
[M+Na]+	244.04028	156.3
[M-H]-	220.04378	153.7
[M+NH4]+	239.08488	169.3
[M+K]+	260.01422	154.6
[M+H-H2O]+	204.04832	141.0
[M+HCOO]-	266.04926	168.7
[M+CH3COO]-	280.06491	190.4
[M+Na-2H]-	242.02573	150.5
[M]+	221.05051	153.2
[M]-	221.05161	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe