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

4
Patents

145.05614 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 130.0
[M+Na]+ 168.04536 137.3
[M-H]- 144.04886 130.9
[M+NH4]+ 163.08996 153.5
[M+K]+ 184.01930 135.8
[M+H-H2O]+ 128.05340 125.6
[M+HCOO]- 190.05434 144.7
[M+CH3COO]- 204.06999 168.5
[M+Na-2H]- 166.03081 131.6
[M]+ 145.05559 128.1
[M]- 145.05669 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