CID 82653173

2413898-34-5

Structural Information

Molecular Formula
C6H6N2O2S
SMILES
C1CC1C2=NN=C(S2)C(=O)O
InChI
InChI=1S/C6H6N2O2S/c9-6(10)5-8-7-4(11-5)3-1-2-3/h3H,1-2H2,(H,9,10)
InChIKey
WKVLWBSJOMFRJB-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3,4-thiadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02228 133.5
[M+Na]+ 193.00422 144.6
[M-H]- 169.00772 137.8
[M+NH4]+ 188.04882 148.1
[M+K]+ 208.97816 140.9
[M+H-H2O]+ 153.01226 126.8
[M+HCOO]- 215.01320 150.7
[M+CH3COO]- 229.02885 176.3
[M+Na-2H]- 190.98967 135.3
[M]+ 170.01445 137.3
[M]- 170.01555 137.3
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.