CID 97627438

1707571-07-0

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CC(C1)C2=C(N=NS2)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c10-7(11)5-6(12-9-8-5)4-2-1-3-4/h4H,1-3H2,(H,10,11)
InChIKey
SAXNHSDNWPQPAR-UHFFFAOYSA-N
Compound name
5-cyclobutylthiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 132.1
[M+Na]+ 207.01987 138.4
[M-H]- 183.02337 135.0
[M+NH4]+ 202.06447 144.1
[M+K]+ 222.99381 139.5
[M+H-H2O]+ 167.02791 119.9
[M+HCOO]- 229.02885 146.6
[M+CH3COO]- 243.04450 178.8
[M+Na-2H]- 205.00532 132.8
[M]+ 184.03010 140.9
[M]- 184.03120 140.9
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.