CID 3064945

106086-15-1

Structural Information

Molecular Formula

C₁₅H₂₁NO₃S

SMILES

CC(C)(C)OC(=O)N1C(CSC1C2=CC=CC=C2)CO

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)19-14(18)16-12(9-17)10-20-13(16)11-7-5-4-6-8-11/h4-8,12-13,17H,9-10H2,1-3H3

InChIKey

IBGNUKUQXVCZDX-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.1242 Da
Monoisotopic Mass: 2.5
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]+	296.131476	170.6
[M+Na]+	318.113418	176.8
[M-H]-	294.116924	174.7
[M+NH4]+	313.158023	186.7
[M+K]+	334.087358	173.6
[M+H-H2O]+	278.121460	164.3
[M+HCOO]-	340.122401	183.1
[M+CH3COO]-	354.138051	196.2
[M+Na-2H]-	316.098866	169.0
[M]+	295.12365142	172.2
[M]-	295.12474858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe