CID 137838458

Methyl 5-formyl-3-methoxy-1,2-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H7NO4S
SMILES
COC1=NSC(=C1C(=O)OC)C=O
InChI
InChI=1S/C7H7NO4S/c1-11-6-5(7(10)12-2)4(3-9)13-8-6/h3H,1-2H3
InChIKey
SJSYCKNYJJDJMR-UHFFFAOYSA-N
Compound name
methyl 5-formyl-3-methoxy-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.00958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.016856 138.7
[M+Na]+ 223.998798 149.0
[M-H]- 200.002304 142.2
[M+NH4]+ 219.043403 159.3
[M+K]+ 239.972738 148.1
[M+H-H2O]+ 184.006840 133.1
[M+HCOO]- 246.007781 158.4
[M+CH3COO]- 260.023431 180.7
[M+Na-2H]- 221.984246 139.9
[M]+ 201.00903142 145.8
[M]- 201.01012858 145.8
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.