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]+ 246.04308 152.6
[M+Na]+ 268.02502 159.5
[M-H]- 244.02852 153.5
[M+NH4]+ 263.06962 170.1
[M+K]+ 283.99896 157.5
[M+H-H2O]+ 228.03306 147.1
[M+HCOO]- 290.03400 166.7
[M+CH3COO]- 304.04965 185.6
[M+Na-2H]- 266.01047 149.8
[M]+ 245.03525 155.1
[M]- 245.03635 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.