CID 130917252

Rac-(3ar,7ar)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-[1,2]thiazolo[4,5-b]pyridin-3-one

Structural Information

Molecular Formula
C6H10N2O3S
SMILES
C1CC2C(C(=O)NS2(=O)=O)NC1
InChI
InChI=1S/C6H10N2O3S/c9-6-5-4(2-1-3-7-5)12(10,11)8-6/h4-5,7H,1-3H2,(H,8,9)
InChIKey
KACIOJPSSPRLQD-UHFFFAOYSA-N
Compound name
1,1-dioxo-3a,4,5,6,7,7a-hexahydro-[1,2]thiazolo[4,5-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04121 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04849 137.0
[M+Na]+ 213.03043 145.8
[M-H]- 189.03393 136.0
[M+NH4]+ 208.07503 157.9
[M+K]+ 229.00437 142.2
[M+H-H2O]+ 173.03847 132.6
[M+HCOO]- 235.03941 147.9
[M+CH3COO]- 249.05506 171.0
[M+Na-2H]- 211.01588 139.6
[M]+ 190.04066 133.1
[M]- 190.04176 133.1
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.