CID 20560352

13679-83-9

Structural Information

Molecular Formula
C7H9NOS
SMILES
CCC(=O)C1=NC(=CS1)C
InChI
InChI=1S/C7H9NOS/c1-3-6(9)7-8-5(2)4-10-7/h4H,3H2,1-2H3
InChIKey
UKIXHMCTJKJFEA-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
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 132.7
[M+Na]+ 178.02970 143.8
[M+NH4]+ 173.07430 141.4
[M+K]+ 194.00364 138.0
[M-H]- 154.03320 133.7
[M+Na-2H]- 176.01515 137.3
[M]+ 155.03993 134.9
[M]- 155.04103 134.9
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