CID 162293

5-ethyl-2,4-dimethylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCC1=C(N=C(S1)C)C
InChI
InChI=1S/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
InChIKey
DALUCNUGMDNXET-UHFFFAOYSA-N
Compound name
5-ethyl-2,4-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

627
Patents

141.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 126.6
[M+Na]+ 164.050438 137.3
[M-H]- 140.053944 130.1
[M+NH4]+ 159.095043 150.2
[M+K]+ 180.024378 135.4
[M+H-H2O]+ 124.058480 121.4
[M+HCOO]- 186.059421 146.0
[M+CH3COO]- 200.075071 174.3
[M+Na-2H]- 162.035886 128.5
[M]+ 141.06067142 130.1
[M]- 141.06176858 130.1
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