CID 65288

2-propionylthiazole

Structural Information

Molecular Formula
C6H7NOS
SMILES
CCC(=O)C1=NC=CS1
InChI
InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
InChIKey
TYRAENAWSLPSLW-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

231
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 128.3
[M+Na]+ 164.01406 139.3
[M+NH4]+ 159.05866 137.2
[M+K]+ 179.98800 133.5
[M-H]- 140.01756 129.3
[M+Na-2H]- 161.99951 133.4
[M]+ 141.02429 130.5
[M]- 141.02539 130.5
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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