CID 86657340

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

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC(C)(C)OC(=O)C1=CN=C(S1)C=O
InChI
InChI=1S/C9H11NO3S/c1-9(2,3)13-8(12)6-4-10-7(5-11)14-6/h4-5H,1-3H3
InChIKey
ARQAIYQGCZSPPF-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.04596 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 146.6
[M+Na]+ 236.03518 155.8
[M-H]- 212.03868 149.7
[M+NH4]+ 231.07978 166.7
[M+K]+ 252.00912 154.4
[M+H-H2O]+ 196.04322 141.2
[M+HCOO]- 258.04416 163.9
[M+CH3COO]- 272.05981 183.0
[M+Na-2H]- 234.02063 148.2
[M]+ 213.04541 152.0
[M]- 213.04651 152.0
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