CID 16227582

923710-57-0

Structural Information

Molecular Formula
C10H9NO4S
SMILES
CCOC1=C(N=C(O1)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C10H9NO4S/c1-2-14-10-7(9(12)13)11-8(15-10)6-4-3-5-16-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
QKPNHNBCKNWOFO-UHFFFAOYSA-N
Compound name
5-ethoxy-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.032496 149.0
[M+Na]+ 262.014438 159.8
[M-H]- 238.017944 155.7
[M+NH4]+ 257.059043 167.8
[M+K]+ 277.988378 158.7
[M+H-H2O]+ 222.022480 143.7
[M+HCOO]- 284.023421 169.2
[M+CH3COO]- 298.039071 184.4
[M+Na-2H]- 259.999886 149.8
[M]+ 239.02467142 156.6
[M]- 239.02576858 156.6
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.