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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 170.1
[M+Na]+ 318.11342 179.3
[M+NH4]+ 313.15802 177.0
[M+K]+ 334.08736 174.5
[M-H]- 294.11692 171.2
[M+Na-2H]- 316.09887 173.8
[M]+ 295.12365 172.0
[M]- 295.12475 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe