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]+ 208.079076 145.4
[M+Na]+ 230.061018 152.9
[M-H]- 206.064524 151.0
[M+NH4]+ 225.105623 165.4
[M+K]+ 246.034958 150.0
[M+H-H2O]+ 190.069060 138.9
[M+HCOO]- 252.070001 161.9
[M+CH3COO]- 266.085651 182.5
[M+Na-2H]- 228.046466 145.5
[M]+ 207.07125142 144.9
[M]- 207.07234858 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.