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]+ 146.027016 124.5
[M+Na]+ 168.008958 136.1
[M-H]- 144.012464 127.2
[M+NH4]+ 163.053563 146.8
[M+K]+ 183.982898 129.4
[M+H-H2O]+ 128.017000 124.7
[M+HCOO]- 190.017941 144.2
[M+CH3COO]- 204.033591 162.6
[M+Na-2H]- 165.994406 128.4
[M]+ 145.01919142 125.4
[M]- 145.02028858 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.