CID 13738286

2-ethyl-5-methyl-3-thiazoline

Structural Information

Molecular Formula
C6H11NS
SMILES
CCC1N=CC(S1)C
InChI
InChI=1S/C6H11NS/c1-3-6-7-4-5(2)8-6/h4-6H,3H2,1-2H3
InChIKey
UAEXQVAYAGZDAX-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.06122 Da
Monoisotopic Mass

1.5
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

No patent data available for this compound.