CID 45086015

233665-91-3

Structural Information

Molecular Formula
C7H9NOS
SMILES
CCC1=CSC(=N1)C(=O)C
InChI
InChI=1S/C7H9NOS/c1-3-6-4-10-7(8-6)5(2)9/h4H,3H2,1-2H3
InChIKey
BBYPDHMUWHQEAO-UHFFFAOYSA-N
Compound name
1-(4-ethyl-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
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 130.5
[M+Na]+ 178.02970 140.2
[M-H]- 154.03320 133.7
[M+NH4]+ 173.07430 153.0
[M+K]+ 194.00364 138.5
[M+H-H2O]+ 138.03774 125.0
[M+HCOO]- 200.03868 149.4
[M+CH3COO]- 214.05433 175.0
[M+Na-2H]- 176.01515 132.0
[M]+ 155.03993 133.8
[M]- 155.04103 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe