CID 178244237

2,4,5-trimethyl-1,3-thiazole 1-oxide

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(S(=O)C(=N1)C)C
InChI
InChI=1S/C6H9NOS/c1-4-5(2)9(8)6(3)7-4/h1-3H3
InChIKey
NULIFRXKCYXKMX-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-1,3-thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.04048 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 124.4
[M+Na]+ 166.029698 136.5
[M-H]- 142.033204 128.4
[M+NH4]+ 161.074303 148.1
[M+K]+ 182.003638 134.6
[M+H-H2O]+ 126.037740 119.6
[M+HCOO]- 188.038681 144.5
[M+CH3COO]- 202.054331 173.5
[M+Na-2H]- 164.015146 126.2
[M]+ 143.03993142 128.7
[M]- 143.04102858 128.7
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.