CID 11196223

746677-85-0

Structural Information

Molecular Formula

C₁₄H₁₃NO₂S

SMILES

C1[C@H](NC(S1)C2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H13NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,15H,8H2,(H,16,17)/t12-,13?/m0/s1

InChIKey

WSGHWUWDWJRTFR-UEWDXFNNSA-N

Compound name

(4R)-2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 259.0667 Da
Monoisotopic Mass: 0.4
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]+	260.073976	156.3
[M+Na]+	282.055918	163.7
[M-H]-	258.059424	160.0
[M+NH4]+	277.100523	173.8
[M+K]+	298.029858	158.2
[M+H-H2O]+	242.063960	150.3
[M+HCOO]-	304.064901	169.0
[M+CH3COO]-	318.080551	167.3
[M+Na-2H]-	280.041366	157.0
[M]+	259.06615142	154.1
[M]-	259.06724858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe