CID 3268354

2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid

Structural Information

Molecular Formula
C9H11NO5S
SMILES
CCOC(=O)C=C1N(C(=O)CS1)CC(=O)O
InChI
InChI=1S/C9H11NO5S/c1-2-15-9(14)3-7-10(4-8(12)13)6(11)5-16-7/h3H,2,4-5H2,1H3,(H,12,13)
InChIKey
LKIZGGQUGGEKEA-UHFFFAOYSA-N
Compound name
2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.043076 152.6
[M+Na]+ 268.025018 159.5
[M-H]- 244.028524 153.5
[M+NH4]+ 263.069623 170.1
[M+K]+ 283.998958 157.5
[M+H-H2O]+ 228.033060 147.1
[M+HCOO]- 290.034001 166.7
[M+CH3COO]- 304.049651 185.6
[M+Na-2H]- 266.010466 149.8
[M]+ 245.03525142 155.1
[M]- 245.03634858 155.1
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.