CID 165990224

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

Structural Information

Molecular Formula
C6H5NO3S
SMILES
COC(=O)C1=CC(=NS1)C=O
InChI
InChI=1S/C6H5NO3S/c1-10-6(9)5-2-4(3-8)7-11-5/h2-3H,1H3
InChIKey
SWMGEQQJFCGJII-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1,2-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.99901 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.006286 132.0
[M+Na]+ 193.988228 142.1
[M-H]- 169.991734 135.3
[M+NH4]+ 189.032833 153.6
[M+K]+ 209.962168 141.0
[M+H-H2O]+ 153.996270 126.5
[M+HCOO]- 215.997211 151.8
[M+CH3COO]- 230.012861 174.4
[M+Na-2H]- 191.973676 134.1
[M]+ 170.99846142 136.9
[M]- 170.99955858 136.9
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.