CID 5487033

4,5-dimethylthiazole-n-oxide-s-oxide

Structural Information

Molecular Formula
C5H7NO2S
SMILES
CC1=C(S(=O)C=[N+]1[O-])C
InChI
InChI=1S/C5H7NO2S/c1-4-5(2)9(8)3-6(4)7/h3H,1-2H3
InChIKey
RALPCBXACRAYDQ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-3-oxido-1,3-thiazol-3-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

145.01974 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 125.4
[M+Na]+ 168.00896 139.0
[M+NH4]+ 163.05356 134.4
[M+K]+ 183.98290 135.4
[M-H]- 144.01246 127.3
[M+Na-2H]- 165.99441 129.8
[M]+ 145.01919 128.2
[M]- 145.02029 128.2
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

No patent data available for this compound.