CID 83635334

4-ethyl-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCC1=C(ON=C1)C(=O)O
InChI
InChI=1S/C6H7NO3/c1-2-4-3-7-10-5(4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
FNUSKEDDWYMLBX-UHFFFAOYSA-N
Compound name
4-ethyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 125.0
[M+Na]+ 164.031808 134.1
[M-H]- 140.035314 127.2
[M+NH4]+ 159.076413 145.2
[M+K]+ 180.005748 134.4
[M+H-H2O]+ 124.039850 119.6
[M+HCOO]- 186.040791 147.4
[M+CH3COO]- 200.056441 169.4
[M+Na-2H]- 162.017256 131.0
[M]+ 141.04204142 127.1
[M]- 141.04313858 127.1
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