CID 3067679

2-ethyl-5-methyl-1,3-thiazolidine

Structural Information

Molecular Formula
C6H13NS
SMILES
CCC1NCC(S1)C
InChI
InChI=1S/C6H13NS/c1-3-6-7-4-5(2)8-6/h5-7H,3-4H2,1-2H3
InChIKey
YYXQNUGASKDYMD-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 127.5
[M+Na]+ 154.066088 135.1
[M-H]- 130.069594 128.5
[M+NH4]+ 149.110693 150.2
[M+K]+ 170.040028 133.0
[M+H-H2O]+ 114.074130 122.4
[M+HCOO]- 176.075071 142.8
[M+CH3COO]- 190.090721 168.2
[M+Na-2H]- 152.051536 128.1
[M]+ 131.07632142 125.5
[M]- 131.07741858 125.5
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