CID 6428990

2-propionyl-2-thiazoline

Structural Information

Molecular Formula
C6H9NOS
SMILES
CCC(=O)C1=NCCS1
InChI
InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3
InChIKey
MFQABLFJUQNPAC-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

64
Patents

143.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.6
[M+Na]+ 166.02970 136.7
[M-H]- 142.03320 131.2
[M+NH4]+ 161.07430 151.2
[M+K]+ 182.00364 135.7
[M+H-H2O]+ 126.03774 123.0
[M+HCOO]- 188.03868 146.4
[M+CH3COO]- 202.05433 171.3
[M+Na-2H]- 164.01515 130.2
[M]+ 143.03993 129.7
[M]- 143.04103 129.7
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