CID 16352354

897286-87-2

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 141.9
[M+Na]+ 239.98719 152.4
[M-H]- 215.99069 147.2
[M+NH4]+ 235.03179 160.7
[M+K]+ 255.96113 150.2
[M+H-H2O]+ 199.99523 136.5
[M+HCOO]- 261.99617 155.0
[M+CH3COO]- 276.01182 155.0
[M+Na-2H]- 237.97264 140.6
[M]+ 216.99742 143.4
[M]- 216.99852 143.4
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.