CID 2342093

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

Structural Information

Molecular Formula
C4H5N3O2S2
SMILES
C(C(=O)O)SC1=NN=C(S1)N
InChI
InChI=1S/C4H5N3O2S2/c5-3-6-7-4(11-3)10-1-2(8)9/h1H2,(H2,5,6)(H,8,9)
InChIKey
VCSGMDCNEWVILV-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

190.98232 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.989596 134.2
[M+Na]+ 213.971538 143.6
[M-H]- 189.975044 134.0
[M+NH4]+ 209.016143 152.4
[M+K]+ 229.945478 139.9
[M+H-H2O]+ 173.979580 128.2
[M+HCOO]- 235.980521 146.0
[M+CH3COO]- 249.996171 177.3
[M+Na-2H]- 211.956986 134.1
[M]+ 190.98177142 135.4
[M]- 190.98286858 135.4
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