CID 83874004

1556498-23-7

Structural Information

Molecular Formula
C6H6N2O2S
SMILES
C1CC2=C(C1C(=O)O)N=NS2
InChI
InChI=1S/C6H6N2O2S/c9-6(10)3-1-2-4-5(3)7-8-11-4/h3H,1-2H2,(H,9,10)
InChIKey
KVGBSJQLGFZYCC-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d]thiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.015 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.022276 133.5
[M+Na]+ 193.004218 143.6
[M-H]- 169.007724 135.1
[M+NH4]+ 188.048823 156.0
[M+K]+ 208.978158 142.0
[M+H-H2O]+ 153.012260 128.5
[M+HCOO]- 215.013201 149.7
[M+CH3COO]- 229.028851 147.2
[M+Na-2H]- 190.989666 134.7
[M]+ 170.01445142 135.2
[M]- 170.01554858 135.2
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.