CID 115769441

2229402-31-5

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCOC(=O)CC(C1=NC=CS1)N
InChI
InChI=1S/C8H12N2O2S/c1-2-12-7(11)5-6(9)8-10-3-4-13-8/h3-4,6H,2,5,9H2,1H3
InChIKey
HBFINLQIDTZUEH-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 143.9
[M+Na]+ 223.051168 150.7
[M-H]- 199.054674 145.8
[M+NH4]+ 218.095773 163.4
[M+K]+ 239.025108 149.2
[M+H-H2O]+ 183.059210 137.2
[M+HCOO]- 245.060151 161.9
[M+CH3COO]- 259.075801 183.1
[M+Na-2H]- 221.036616 144.0
[M]+ 200.06140142 145.9
[M]- 200.06249858 145.9
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.