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]+ 240.03250 149.0
[M+Na]+ 262.01444 159.8
[M-H]- 238.01794 155.7
[M+NH4]+ 257.05904 167.8
[M+K]+ 277.98838 158.7
[M+H-H2O]+ 222.02248 143.7
[M+HCOO]- 284.02342 169.2
[M+CH3COO]- 298.03907 184.4
[M+Na-2H]- 259.99989 149.8
[M]+ 239.02467 156.6
[M]- 239.02577 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.