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]+ 130.06850 124.7
[M+Na]+ 152.05044 133.9
[M-H]- 128.05394 127.6
[M+NH4]+ 147.09504 148.4
[M+K]+ 168.02438 132.6
[M+H-H2O]+ 112.05848 119.5
[M+HCOO]- 174.05942 143.1
[M+CH3COO]- 188.07507 170.6
[M+Na-2H]- 150.03589 126.8
[M]+ 129.06067 126.1
[M]- 129.06177 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.