CID 135465807

3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Structural Information

Molecular Formula
C6H4N2O2S
SMILES
C1=CSC(=C1)C2=NOC(=O)N2
InChI
InChI=1S/C6H4N2O2S/c9-6-7-5(8-10-6)4-2-1-3-11-4/h1-3H,(H,7,8,9)
InChIKey
JMWWXAYHYFHICF-UHFFFAOYSA-N
Compound name
3-thiophen-2-yl-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.99934 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.006616 128.1
[M+Na]+ 190.988558 140.9
[M-H]- 166.992064 133.6
[M+NH4]+ 186.033163 148.6
[M+K]+ 206.962498 139.1
[M+H-H2O]+ 150.996600 122.6
[M+HCOO]- 212.997541 149.1
[M+CH3COO]- 227.013191 143.6
[M+Na-2H]- 188.974006 132.0
[M]+ 167.99879142 132.2
[M]- 167.99988858 132.2
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

patents stripe