CID 14119

Mobam

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

CNC(=O)OC1=C2C=CSC2=CC=C1

InChI

InChI=1S/C10H9NO2S/c1-11-10(12)13-8-3-2-4-9-7(8)5-6-14-9/h2-6H,1H3,(H,11,12)

InChIKey

BOTUVXISJHKZKJ-UHFFFAOYSA-N

Compound name

1-benzothiophen-4-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 94
Patents: 207.0354 Da
Monoisotopic Mass: 2.5
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]+	208.04268	141.4
[M+Na]+	230.02462	151.4
[M-H]-	206.02812	147.1
[M+NH4]+	225.06922	163.9
[M+K]+	245.99856	148.5
[M+H-H2O]+	190.03266	136.1
[M+HCOO]-	252.03360	163.3
[M+CH3COO]-	266.04925	183.9
[M+Na-2H]-	228.01007	146.5
[M]+	207.03485	146.3
[M]-	207.03595	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe