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

25
Patents

143.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 127.1
[M+Na]+ 166.029698 136.7
[M-H]- 142.033204 129.0
[M+NH4]+ 161.074303 149.3
[M+K]+ 182.003638 134.3
[M+H-H2O]+ 126.037740 122.0
[M+HCOO]- 188.038681 144.7
[M+CH3COO]- 202.054331 169.4
[M+Na-2H]- 164.015146 128.5
[M]+ 143.03993142 128.1
[M]- 143.04102858 128.1
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