CID 521384

4-ethyl-5-methylthiazole

Structural Information

Molecular Formula
C6H9NS
SMILES
CCC1=C(SC=N1)C
InChI
InChI=1S/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3
InChIKey
QCIOXFPPEGZRFY-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

169
Patents

127.04557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 124.9
[M+Na]+ 150.03479 137.1
[M+NH4]+ 145.07939 134.8
[M+K]+ 166.00873 130.2
[M-H]- 126.03829 127.0
[M+Na-2H]- 148.02024 130.7
[M]+ 127.04502 127.7
[M]- 127.04612 127.7
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