CID 522877

2-ethyl-4,5-dimethylthiazole

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

157
Patents

141.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 126.6
[M+Na]+ 164.05044 137.3
[M-H]- 140.05394 130.1
[M+NH4]+ 159.09504 150.2
[M+K]+ 180.02438 135.4
[M+H-H2O]+ 124.05848 121.4
[M+HCOO]- 186.05942 146.0
[M+CH3COO]- 200.07507 174.3
[M+Na-2H]- 162.03589 128.5
[M]+ 141.06067 130.1
[M]- 141.06177 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