CID 520888

5-acetyl-2,4-dimethylthiazole

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=C(SC(=N1)C)C(=O)C
InChI
InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-N
Compound name
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

672
Patents

155.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 132.8
[M+Na]+ 178.02970 144.3
[M+NH4]+ 173.07430 141.5
[M+K]+ 194.00364 138.6
[M-H]- 154.03320 133.9
[M+Na-2H]- 176.01515 137.2
[M]+ 155.03993 135.1
[M]- 155.04103 135.1
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

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