CID 6447371

Brn 0524385

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CCOC(=O)/C=C/1\N(C(=O)CS1)CC=C
InChI
InChI=1S/C10H13NO3S/c1-3-5-11-8(12)7-15-9(11)6-10(13)14-4-2/h3,6H,1,4-5,7H2,2H3/b9-6+
InChIKey
FHPKXYKQHBUKTA-RMKNXTFCSA-N
Compound name
ethyl (2E)-2-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 150.8
[M+Na]+ 250.05083 158.5
[M-H]- 226.05433 153.0
[M+NH4]+ 245.09543 170.1
[M+K]+ 266.02477 155.6
[M+H-H2O]+ 210.05887 145.0
[M+HCOO]- 272.05981 166.7
[M+CH3COO]- 286.07546 186.0
[M+Na-2H]- 248.03628 148.5
[M]+ 227.06106 153.2
[M]- 227.06216 153.2
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

No patent data available for this compound.