CID 15050021

1-(1,3-thiazol-4-yl)propan-1-one

Structural Information

Molecular Formula
C6H7NOS
SMILES
CCC(=O)C1=CSC=N1
InChI
InChI=1S/C6H7NOS/c1-2-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKey
FRDBSJNXMBGYRA-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 126.8
[M+Na]+ 164.01406 136.0
[M-H]- 140.01756 129.8
[M+NH4]+ 159.05866 149.5
[M+K]+ 179.98800 134.6
[M+H-H2O]+ 124.02210 121.2
[M+HCOO]- 186.02304 146.0
[M+CH3COO]- 200.03869 170.9
[M+Na-2H]- 161.99951 129.3
[M]+ 141.02429 129.3
[M]- 141.02539 129.3
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