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]+ 169.00662 128.1
[M+Na]+ 190.98856 140.9
[M-H]- 166.99206 133.6
[M+NH4]+ 186.03316 148.6
[M+K]+ 206.96250 139.1
[M+H-H2O]+ 150.99660 122.6
[M+HCOO]- 212.99754 149.1
[M+CH3COO]- 227.01319 143.6
[M+Na-2H]- 188.97401 132.0
[M]+ 167.99879 132.2
[M]- 167.99989 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