CID 3065227

107321-79-9

Structural Information

Molecular Formula
C9H16N2O3S
SMILES
CCOC(=O)C1CSC(N1C(=O)CN)C
InChI
InChI=1S/C9H16N2O3S/c1-3-14-9(13)7-5-15-6(2)11(7)8(12)4-10/h6-7H,3-5,10H2,1-2H3
InChIKey
PGNUBOSWABOFCX-UHFFFAOYSA-N
Compound name
ethyl 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.08817 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09545 152.9
[M+Na]+ 255.07739 159.1
[M-H]- 231.08089 154.5
[M+NH4]+ 250.12199 171.3
[M+K]+ 271.05133 157.7
[M+H-H2O]+ 215.08543 146.6
[M+HCOO]- 277.08637 167.9
[M+CH3COO]- 291.10202 189.9
[M+Na-2H]- 253.06284 149.5
[M]+ 232.08762 153.9
[M]- 232.08872 153.9
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.