CID 3025463

103182-84-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₄S

SMILES

C1C(NC(S1)COC2=CC=CC=C2O)C(=O)O

InChI

InChI=1S/C11H13NO4S/c13-8-3-1-2-4-9(8)16-5-10-12-7(6-17-10)11(14)15/h1-4,7,10,12-13H,5-6H2,(H,14,15)

InChIKey

IYYYFSJXZPBIQS-UHFFFAOYSA-N

Compound name

2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 255.05653 Da
Monoisotopic Mass: -1.0
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]+	256.063806	154.9
[M+Na]+	278.045748	161.0
[M-H]-	254.049254	156.3
[M+NH4]+	273.090353	170.5
[M+K]+	294.019688	157.0
[M+H-H2O]+	238.053790	148.8
[M+HCOO]-	300.054731	167.3
[M+CH3COO]-	314.070381	183.2
[M+Na-2H]-	276.031196	153.6
[M]+	255.05598142	153.5
[M]-	255.05707858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe