CID 3067679

2-ethyl-5-methylthiazolidine

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]+ 132.08415 127.5
[M+Na]+ 154.06609 135.1
[M-H]- 130.06959 128.5
[M+NH4]+ 149.11069 150.2
[M+K]+ 170.04003 133.0
[M+H-H2O]+ 114.07413 122.4
[M+HCOO]- 176.07507 142.8
[M+CH3COO]- 190.09072 168.2
[M+Na-2H]- 152.05154 128.1
[M]+ 131.07632 125.5
[M]- 131.07742 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