CID 82412504

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

Structural Information

Molecular Formula
C6H6N2O2S
SMILES
C1CC1C2=C(N=NS2)C(=O)O
InChI
InChI=1S/C6H6N2O2S/c9-6(10)4-5(3-1-2-3)11-8-7-4/h3H,1-2H2,(H,9,10)
InChIKey
DDSNHSMHDHQLHO-UHFFFAOYSA-N
Compound name
5-cyclopropylthiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.015 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.022276 133.5
[M+Na]+ 193.004218 144.6
[M-H]- 169.007724 137.8
[M+NH4]+ 188.048823 148.1
[M+K]+ 208.978158 140.9
[M+H-H2O]+ 153.012260 126.8
[M+HCOO]- 215.013201 150.7
[M+CH3COO]- 229.028851 176.3
[M+Na-2H]- 190.989666 135.3
[M]+ 170.01445142 137.3
[M]- 170.01554858 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

patents stripe