CID 47615

3-carboxy-n-(3-methyl-2-thiazolidinylidene)propionamide

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CN1CCSC1=NC(=O)CCC(=O)O
InChI
InChI=1S/C8H12N2O3S/c1-10-4-5-14-8(10)9-6(11)2-3-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKey
BJLULHPWVYLSSI-UHFFFAOYSA-N
Compound name
4-[(3-methyl-1,3-thiazolidin-2-ylidene)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.05687 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 149.2
[M+Na]+ 239.04609 155.6
[M+NH4]+ 234.09069 155.2
[M+K]+ 255.02003 152.1
[M-H]- 215.04959 148.1
[M+Na-2H]- 237.03154 150.1
[M]+ 216.05632 149.6
[M]- 216.05742 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.