CID 68401983

4,4-dimethyl-1,3-thiazolidin-2-one

Structural Information

Molecular Formula
C5H9NOS
SMILES
CC1(CSC(=O)N1)C
InChI
InChI=1S/C5H9NOS/c1-5(2)3-8-4(7)6-5/h3H2,1-2H3,(H,6,7)
InChIKey
OAYZWCYNFPIDNL-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 124.2
[M+Na]+ 154.02970 133.1
[M-H]- 130.03320 125.6
[M+NH4]+ 149.07430 148.7
[M+K]+ 170.00364 131.3
[M+H-H2O]+ 114.03774 120.2
[M+HCOO]- 176.03868 140.2
[M+CH3COO]- 190.05433 165.8
[M+Na-2H]- 152.01515 126.9
[M]+ 131.03993 122.9
[M]- 131.04103 122.9
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

patents stripe