CID 13586169

104514-85-4

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC(C)C1=CSC(=O)N1
InChI
InChI=1S/C6H9NOS/c1-4(2)5-3-9-6(8)7-5/h3-4H,1-2H3,(H,7,8)
InChIKey
CKYDGOQJQRJZIG-UHFFFAOYSA-N
Compound name
4-propan-2-yl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

143.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.9
[M+Na]+ 166.02970 139.6
[M+NH4]+ 161.07430 137.4
[M+K]+ 182.00364 134.3
[M-H]- 142.03320 129.4
[M+Na-2H]- 164.01515 133.1
[M]+ 143.03993 130.8
[M]- 143.04103 130.8
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