CID 40150

51859-53-1

Structural Information

Molecular Formula
C6H11NOS
SMILES
CC(=O)C1(NCCS1)C
InChI
InChI=1S/C6H11NOS/c1-5(8)6(2)7-3-4-9-6/h7H,3-4H2,1-2H3
InChIKey
WLXIBDDBHZVOIL-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,3-thiazolidin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

145.05614 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.063416 130.0
[M+Na]+ 168.045358 137.3
[M-H]- 144.048864 130.9
[M+NH4]+ 163.089963 153.5
[M+K]+ 184.019298 135.8
[M+H-H2O]+ 128.053400 125.6
[M+HCOO]- 190.054341 144.7
[M+CH3COO]- 204.069991 168.5
[M+Na-2H]- 166.030806 131.6
[M]+ 145.05559142 128.1
[M]- 145.05668858 128.1
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