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]+ 202.01686 138.7
[M+Na]+ 223.99880 149.0
[M-H]- 200.00230 142.2
[M+NH4]+ 219.04340 159.3
[M+K]+ 239.97274 148.1
[M+H-H2O]+ 184.00684 133.1
[M+HCOO]- 246.00778 158.4
[M+CH3COO]- 260.02343 180.7
[M+Na-2H]- 221.98425 139.9
[M]+ 201.00903 145.8
[M]- 201.01013 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.