CID 141392975

4-methyl-1,3-thiazole 1-oxide

Structural Information

Molecular Formula
C4H5NOS
SMILES
CC1=CS(=O)C=N1
InChI
InChI=1S/C4H5NOS/c1-4-2-7(6)3-5-4/h2-3H,1H3
InChIKey
JPKRUNVFGCYEIG-UHFFFAOYSA-N
Compound name
4-methyl-1,3-thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

115.009186 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.016462 116.9
[M+Na]+ 137.998404 128.2
[M-H]- 114.001910 120.5
[M+NH4]+ 133.043009 141.1
[M+K]+ 153.972344 126.8
[M+H-H2O]+ 98.006446 111.9
[M+HCOO]- 160.007387 137.7
[M+CH3COO]- 174.023037 165.2
[M+Na-2H]- 135.983852 120.9
[M]+ 115.00863742 119.7
[M]- 115.00973458 119.7
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

patents stripe