CID 98272

31404-08-7

Structural Information

Molecular Formula

C₁₀H₁₃NOS

SMILES

COC1=CC=C(C=C1)C2NCCS2

InChI

InChI=1S/C10H13NOS/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3

InChIKey

OQFUUZFCTONCOU-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 29
Patents: 195.0718 Da
Monoisotopic Mass: 1.4
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]+	196.07908	141.2
[M+Na]+	218.06102	148.6
[M-H]-	194.06452	145.3
[M+NH4]+	213.10562	161.0
[M+K]+	234.03496	145.1
[M+H-H2O]+	178.06906	134.9
[M+HCOO]-	240.07000	157.4
[M+CH3COO]-	254.08565	153.7
[M+Na-2H]-	216.04647	142.5
[M]+	195.07125	139.8
[M]-	195.07235	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe