CID 2856684

303992-20-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

COC1=CC=C(C=C1)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C11H15NO3S/c1-15-11-4-2-9(3-5-11)12-10-6-7-16(13,14)8-10/h2-5,10,12H,6-8H2,1H3

InChIKey

JWARIOINZRSQPD-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 241.07727 Da
Monoisotopic Mass: 1.5
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]+	242.08455	149.9
[M+Na]+	264.06649	158.2
[M-H]-	240.06999	157.1
[M+NH4]+	259.11109	171.5
[M+K]+	280.04043	155.2
[M+H-H2O]+	224.07453	144.4
[M+HCOO]-	286.07547	170.1
[M+CH3COO]-	300.09112	188.6
[M+Na-2H]-	262.05194	152.9
[M]+	241.07672	151.7
[M]-	241.07782	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe