CID 63752580

Ethyl 3-(dimethyl-1,3-thiazol-5-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CCOC(=O)CC(=O)C1=C(N=C(S1)C)C
InChI
InChI=1S/C10H13NO3S/c1-4-14-9(13)5-8(12)10-6(2)11-7(3)15-10/h4-5H2,1-3H3
InChIKey
JTEOKENTXPZDLU-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.06161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 149.4
[M+Na]+ 250.05083 158.2
[M-H]- 226.05433 152.4
[M+NH4]+ 245.09543 168.9
[M+K]+ 266.02477 156.6
[M+H-H2O]+ 210.05887 143.5
[M+HCOO]- 272.05981 166.8
[M+CH3COO]- 286.07546 188.4
[M+Na-2H]- 248.03628 147.9
[M]+ 227.06106 155.6
[M]- 227.06216 155.6
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

patents stripe