CID 9578619

3-(thenylideneamino)-2-oxazolidone

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1COC(=O)N1/N=C/C2=CC=CS2
InChI
InChI=1S/C8H8N2O2S/c11-8-10(3-4-12-8)9-6-7-2-1-5-13-7/h1-2,5-6H,3-4H2/b9-6+
InChIKey
ZSXOGKVIBJQFQH-RMKNXTFCSA-N
Compound name
3-[(E)-thiophen-2-ylmethylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03065 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 140.2
[M+Na]+ 219.019868 149.1
[M-H]- 195.023374 148.3
[M+NH4]+ 214.064473 161.4
[M+K]+ 234.993808 148.6
[M+H-H2O]+ 179.027910 134.1
[M+HCOO]- 241.028851 161.5
[M+CH3COO]- 255.044501 181.6
[M+Na-2H]- 217.005316 142.1
[M]+ 196.03010142 142.4
[M]- 196.03119858 142.4
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.