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

2311
Patents

100.99354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.000816 113.8
[M+Na]+ 123.982758 123.6
[M-H]- 99.986264 115.8
[M+NH4]+ 119.027363 137.1
[M+K]+ 139.956698 118.0
[M+H-H2O]+ 83.990800 113.7
[M+HCOO]- 145.991741 134.0
[M+CH3COO]- 160.007391 152.6
[M+Na-2H]- 121.968206 120.4
[M]+ 100.99299142 112.3
[M]- 100.99408858 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

literature stripe

Patent stripe

patents stripe