CID 6447375

Acetic acid, 2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-2-thiazolidinylidene)-, ethyl ester

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CCOC(=O)/C=C/1\N(C(=O)C(S1)N2CCCC2)C
InChI
InChI=1S/C12H18N2O3S/c1-3-17-10(15)8-9-13(2)11(16)12(18-9)14-6-4-5-7-14/h8,12H,3-7H2,1-2H3/b9-8+
InChIKey
HWOHDHRCYDZIOM-CMDGGOBGSA-N
Compound name
ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 165.7
[M+Na]+ 293.09304 172.7
[M+NH4]+ 288.13764 171.8
[M+K]+ 309.06698 169.9
[M-H]- 269.09654 165.4
[M+Na-2H]- 291.07849 166.0
[M]+ 270.10327 166.5
[M]- 270.10437 166.5
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.