CID 103975

5-ethyl-4-methylthiazol-2(3h)-one

Structural Information

Molecular Formula
C6H9NOS
SMILES
CCC1=C(NC(=O)S1)C
InChI
InChI=1S/C6H9NOS/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8)
InChIKey
SLOWPSHRECMDQM-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 126.0
[M+Na]+ 166.029698 136.8
[M-H]- 142.033204 128.2
[M+NH4]+ 161.074303 148.6
[M+K]+ 182.003638 133.9
[M+H-H2O]+ 126.037740 121.2
[M+HCOO]- 188.038681 144.6
[M+CH3COO]- 202.054331 169.7
[M+Na-2H]- 164.015146 127.9
[M]+ 143.03993142 128.0
[M]- 143.04102858 128.0
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