CID 208015

31404-09-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

COC1=CC(=CC(=C1O)OC)C2NCCS2

InChI

InChI=1S/C11H15NO3S/c1-14-8-5-7(11-12-3-4-16-11)6-9(15-2)10(8)13/h5-6,11-13H,3-4H2,1-2H3

InChIKey

CKVKWCFSUZXDQQ-UHFFFAOYSA-N

Compound name

2,6-dimethoxy-4-(1,3-thiazolidin-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 241.07727 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]+	242.08455	152.0
[M+Na]+	264.06649	159.8
[M-H]-	240.06999	155.2
[M+NH4]+	259.11109	169.6
[M+K]+	280.04043	156.2
[M+H-H2O]+	224.07453	146.0
[M+HCOO]-	286.07547	166.6
[M+CH3COO]-	300.09112	184.5
[M+Na-2H]-	262.05194	151.4
[M]+	241.07672	152.7
[M]-	241.07782	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe