CID 15179916

Thiazole n-oxide

Structural Information

Molecular Formula
C3H3NOS
SMILES
C1=CSC=[N+]1[O-]
InChI
InChI=1S/C3H3NOS/c5-4-1-2-6-3-4/h1-3H
InChIKey
GOAOVHAQURCJSU-UHFFFAOYSA-N
Compound name
3-oxido-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2310
Patents

100.99354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.00082 113.8
[M+Na]+ 123.98276 123.6
[M-H]- 99.986264 115.8
[M+NH4]+ 119.02736 137.1
[M+K]+ 139.95670 118.0
[M+H-H2O]+ 83.990800 113.7
[M+HCOO]- 145.99174 134.0
[M+CH3COO]- 160.00739 152.6
[M+Na-2H]- 121.96821 120.4
[M]+ 100.99299 112.3
[M]- 100.99409 112.3
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.