CID 12634693

2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid

Structural Information

Molecular Formula
C4H4N2O2S2
SMILES
C1=NN=C(S1)SCC(=O)O
InChI
InChI=1S/C4H4N2O2S2/c7-3(8)1-9-4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChIKey
DZXGDEPWZLFUEA-UHFFFAOYSA-N
Compound name
2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

175.97142 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97870 131.1
[M+Na]+ 198.96064 140.8
[M-H]- 174.96414 131.3
[M+NH4]+ 194.00524 150.5
[M+K]+ 214.93458 137.9
[M+H-H2O]+ 158.96868 125.4
[M+HCOO]- 220.96962 142.8
[M+CH3COO]- 234.98527 172.1
[M+Na-2H]- 196.94609 131.8
[M]+ 175.97087 133.8
[M]- 175.97197 133.8
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