CID 351418

1,2,3-thiadiazole-4-carboxylic acid

Structural Information

Molecular Formula
C3H2N2O2S
SMILES
C1=C(N=NS1)C(=O)O
InChI
InChI=1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)
InChIKey
HJZYBDPHAHGHAZ-UHFFFAOYSA-N
Compound name
thiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

715
Patents

129.9837 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99098 120.9
[M+Na]+ 152.97292 130.8
[M-H]- 128.97642 121.5
[M+NH4]+ 148.01752 141.9
[M+K]+ 168.94686 129.6
[M+H-H2O]+ 112.98096 115.1
[M+HCOO]- 174.98190 138.6
[M+CH3COO]- 188.99755 164.0
[M+Na-2H]- 150.95837 124.5
[M]+ 129.98315 122.3
[M]- 129.98425 122.3
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