CID 912122

2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

Structural Information

Molecular Formula
C8H6N2O4S
SMILES
C1=COC(=C1)C2=NN=C(O2)SCC(=O)O
InChI
InChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKey
WMMOVVYXIVGNHJ-UHFFFAOYSA-N
Compound name
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

226.00482 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01210 143.5
[M+Na]+ 248.99404 154.6
[M-H]- 224.99754 149.4
[M+NH4]+ 244.03864 159.9
[M+K]+ 264.96798 154.7
[M+H-H2O]+ 209.00208 137.8
[M+HCOO]- 271.00302 162.3
[M+CH3COO]- 285.01867 180.3
[M+Na-2H]- 246.97949 146.2
[M]+ 226.00427 150.8
[M]- 226.00537 150.8
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

No patent data available for this compound.