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
5
Annotation Hits

0
References

692
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 129.6
[M+Na]+ 178.02970 140.1
[M-H]- 154.03320 133.2
[M+NH4]+ 173.07430 152.4
[M+K]+ 194.00364 138.4
[M+H-H2O]+ 138.03774 124.5
[M+HCOO]- 200.03868 148.4
[M+CH3COO]- 214.05433 176.1
[M+Na-2H]- 176.01515 130.5
[M]+ 155.03993 133.3
[M]- 155.04103 133.3
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