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

67
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 126.8
[M+Na]+ 164.014058 136.0
[M-H]- 140.017564 129.8
[M+NH4]+ 159.058663 149.5
[M+K]+ 179.987998 134.6
[M+H-H2O]+ 124.022100 121.2
[M+HCOO]- 186.023041 146.0
[M+CH3COO]- 200.038691 170.9
[M+Na-2H]- 161.999506 129.3
[M]+ 141.02429142 129.3
[M]- 141.02538858 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