CID 13910

Mobil mc-740

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: 2
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]+	222.058336	146.8
[M+Na]+	244.040278	156.3
[M-H]-	220.043784	153.7
[M+NH4]+	239.084883	169.3
[M+K]+	260.014218	154.6
[M+H-H2O]+	204.048320	141.0
[M+HCOO]-	266.049261	168.7
[M+CH3COO]-	280.064911	190.4
[M+Na-2H]-	242.025726	150.5
[M]+	221.05051142	153.2
[M]-	221.05160858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe