CID 3025464

103195-83-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CSC(N1)COC2=CC=CC=C2O

InChI

InChI=1S/C10H13NO2S/c12-8-3-1-2-4-9(8)13-7-10-11-5-6-14-10/h1-4,10-12H,5-7H2

InChIKey

OHRVIKONBLIBJX-UHFFFAOYSA-N

Compound name

2-(1,3-thiazolidin-2-ylmethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 211.0667 Da
Monoisotopic Mass: 1.7
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]+	212.07398	144.6
[M+Na]+	234.05592	151.4
[M-H]-	210.05942	147.3
[M+NH4]+	229.10052	162.9
[M+K]+	250.02986	147.4
[M+H-H2O]+	194.06396	138.4
[M+HCOO]-	256.06490	159.5
[M+CH3COO]-	270.08055	177.1
[M+Na-2H]-	232.04137	145.6
[M]+	211.06615	142.8
[M]-	211.06725	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe