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
2
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 124.5
[M+Na]+ 168.00896 136.1
[M-H]- 144.01246 127.2
[M+NH4]+ 163.05356 146.8
[M+K]+ 183.98290 129.4
[M+H-H2O]+ 128.01700 124.7
[M+HCOO]- 190.01794 144.2
[M+CH3COO]- 204.03359 162.6
[M+Na-2H]- 165.99441 128.4
[M]+ 145.01919 125.4
[M]- 145.02029 125.4
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.