CID 107254

4293-61-2

Structural Information

Molecular Formula
C6H11NS
SMILES
CCC1CSC(=N1)C
InChI
InChI=1S/C6H11NS/c1-3-6-4-8-5(2)7-6/h6H,3-4H2,1-2H3
InChIKey
LENVRVUQOXYSDH-UHFFFAOYSA-N
Compound name
4-ethyl-2-methyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

129.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 124.7
[M+Na]+ 152.050438 133.9
[M-H]- 128.053944 127.6
[M+NH4]+ 147.095043 148.4
[M+K]+ 168.024378 132.6
[M+H-H2O]+ 112.058480 119.5
[M+HCOO]- 174.059421 143.1
[M+CH3COO]- 188.075071 170.6
[M+Na-2H]- 150.035886 126.8
[M]+ 129.06067142 126.1
[M]- 129.06176858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe