CID 97431

2682-49-7

Structural Information

Molecular Formula
C3H5NOS
SMILES
C1CSC(=O)N1
InChI
InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey
SLYRGJDSFOCAAI-UHFFFAOYSA-N
Compound name
1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

139
References

16747
Patents

103.009186 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.01646 117.4
[M+Na]+ 125.99840 125.5
[M-H]- 102.00191 118.5
[M+NH4]+ 121.04301 140.7
[M+K]+ 141.97234 124.1
[M+H-H2O]+ 86.006446 112.4
[M+HCOO]- 148.00739 134.1
[M+CH3COO]- 162.02304 159.1
[M+Na-2H]- 123.98385 120.1
[M]+ 103.00864 114.6
[M]- 103.00973 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe