CID 3050895

67189-36-0

Structural Information

Molecular Formula
C11H13NOS
SMILES
CC(=O)N1CCSC1C2=CC=CC=C2
InChI
InChI=1S/C11H13NOS/c1-9(13)12-7-8-14-11(12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey
YCXMWRGWKQQFNR-UHFFFAOYSA-N
Compound name
1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 145.4
[M+Na]+ 230.06102 152.9
[M-H]- 206.06452 151.0
[M+NH4]+ 225.10562 165.4
[M+K]+ 246.03496 150.0
[M+H-H2O]+ 190.06906 138.9
[M+HCOO]- 252.07000 161.9
[M+CH3COO]- 266.08565 182.5
[M+Na-2H]- 228.04647 145.5
[M]+ 207.07125 144.9
[M]- 207.07235 144.9
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

No patent data available for this compound.