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]+ 197.03793 140.2
[M+Na]+ 219.01987 149.1
[M-H]- 195.02337 148.3
[M+NH4]+ 214.06447 161.4
[M+K]+ 234.99381 148.6
[M+H-H2O]+ 179.02791 134.1
[M+HCOO]- 241.02885 161.5
[M+CH3COO]- 255.04450 181.6
[M+Na-2H]- 217.00532 142.1
[M]+ 196.03010 142.4
[M]- 196.03120 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.