CID 45117981

874289-75-5

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCC1=NOC(=C1C)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-3-5-4(2)6(7(9)10)11-8-5/h3H2,1-2H3,(H,9,10)
InChIKey
DFHPRLGWOIJFMP-UHFFFAOYSA-N
Compound name
3-ethyl-4-methyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.4
[M+Na]+ 178.04746 141.4
[M+NH4]+ 173.09206 137.2
[M+K]+ 194.02140 139.7
[M-H]- 154.05096 131.0
[M+Na-2H]- 176.03291 133.9
[M]+ 155.05769 131.9
[M]- 155.05879 131.9
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.