CID 54129749

3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C6H5NOS
SMILES
C#CCN1C=CSC1=O
InChI
InChI=1S/C6H5NOS/c1-2-3-7-4-5-9-6(7)8/h1,4-5H,3H2
InChIKey
YWWMJWVJBMCDNA-UHFFFAOYSA-N
Compound name
3-prop-2-ynyl-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.00919 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.01647 128.5
[M+Na]+ 161.99841 141.3
[M-H]- 138.00191 130.8
[M+NH4]+ 157.04301 149.2
[M+K]+ 177.97235 138.3
[M+H-H2O]+ 122.00645 117.0
[M+HCOO]- 184.00739 143.2
[M+CH3COO]- 198.02304 179.0
[M+Na-2H]- 159.98386 130.8
[M]+ 139.00864 125.9
[M]- 139.00974 125.9
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

No patent data available for this compound.