CID 122152296

Tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CC(=O)C1=NC=C(S1)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H13NO3S/c1-6(12)8-11-5-7(15-8)9(13)14-10(2,3)4/h5H,1-4H3
InChIKey
KEJKVDLWCLNDKB-UHFFFAOYSA-N
Compound name
tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 150.7
[M+Na]+ 250.05083 159.1
[M-H]- 226.05433 153.8
[M+NH4]+ 245.09543 170.2
[M+K]+ 266.02477 158.0
[M+H-H2O]+ 210.05887 145.2
[M+HCOO]- 272.05981 166.7
[M+CH3COO]- 286.07546 186.9
[M+Na-2H]- 248.03628 150.8
[M]+ 227.06106 155.9
[M]- 227.06216 155.9
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.