CID 15739356

140651-38-3

Structural Information

Molecular Formula
C3H3NOS
SMILES
C1=CS(=O)N=C1
InChI
InChI=1S/C3H3NOS/c5-6-3-1-2-4-6/h1-3H
InChIKey
JLHMJWHSBYZWJJ-UHFFFAOYSA-N
Compound name
1,2-thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

23372
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 113.0
[M+Na]+ 123.982758 123.8
[M-H]- 99.986264 116.4
[M+NH4]+ 119.027363 137.5
[M+K]+ 139.956698 122.8
[M+H-H2O]+ 83.990800 107.9
[M+HCOO]- 145.991741 134.2
[M+CH3COO]- 160.007391 161.2
[M+Na-2H]- 121.968206 118.2
[M]+ 100.99299142 115.1
[M]- 100.99408858 115.1
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