CID 16352354

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]oxolan-2-one

Structural Information

Molecular Formula
C6H7N3O2S2
SMILES
C1COC(=O)C1SC2=NN=C(S2)N
InChI
InChI=1S/C6H7N3O2S2/c7-5-8-9-6(13-5)12-3-1-2-11-4(3)10/h3H,1-2H2,(H2,7,8)
InChIKey
CHPPYWUZNLPVQM-UHFFFAOYSA-N
Compound name
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.99797 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00525 143.7
[M+Na]+ 239.98719 152.4
[M+NH4]+ 235.03179 151.5
[M+K]+ 255.96113 148.2
[M-H]- 215.99069 146.7
[M+Na-2H]- 237.97264 146.2
[M]+ 216.99742 146.4
[M]- 216.99852 146.4
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.