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]+ 172.00629 132.0
[M+Na]+ 193.98823 142.1
[M-H]- 169.99173 135.3
[M+NH4]+ 189.03283 153.6
[M+K]+ 209.96217 141.0
[M+H-H2O]+ 153.99627 126.5
[M+HCOO]- 215.99721 151.8
[M+CH3COO]- 230.01286 174.4
[M+Na-2H]- 191.97368 134.1
[M]+ 170.99846 136.9
[M]- 170.99956 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.