CID 3050619

66867-03-6

Structural Information

Molecular Formula
C6H11NS
SMILES
CCC1(N=CCS1)C
InChI
InChI=1S/C6H11NS/c1-3-6(2)7-4-5-8-6/h4H,3,5H2,1-2H3
InChIKey
GYDDHJYQHOKHFP-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 123.9
[M+Na]+ 152.050438 133.0
[M-H]- 128.053944 126.7
[M+NH4]+ 147.095043 149.3
[M+K]+ 168.024378 131.9
[M+H-H2O]+ 112.058480 119.2
[M+HCOO]- 174.059421 142.3
[M+CH3COO]- 188.075071 169.1
[M+Na-2H]- 150.035886 128.1
[M]+ 129.06067142 125.3
[M]- 129.06176858 125.3
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