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]+ 191.98960 134.2
[M+Na]+ 213.97154 143.6
[M-H]- 189.97504 134.0
[M+NH4]+ 209.01614 152.4
[M+K]+ 229.94548 139.9
[M+H-H2O]+ 173.97958 128.2
[M+HCOO]- 235.98052 146.0
[M+CH3COO]- 249.99617 177.3
[M+Na-2H]- 211.95699 134.1
[M]+ 190.98177 135.4
[M]- 190.98287 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.