CID 117214786

5-(ethoxycarbonyl)thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H7NO4S
SMILES
CCOC(=O)C1=C(N=CS1)C(=O)O
InChI
InChI=1S/C7H7NO4S/c1-2-12-7(11)5-4(6(9)10)8-3-13-5/h3H,2H2,1H3,(H,9,10)
InChIKey
DPIVLKLTJRRKSZ-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.00958 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01686 142.4
[M+Na]+ 223.99880 151.1
[M+NH4]+ 219.04340 148.6
[M+K]+ 239.97274 147.9
[M-H]- 200.00230 140.8
[M+Na-2H]- 221.98425 144.6
[M]+ 201.00903 143.2
[M]- 201.01013 143.2
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