CID 131451843

4-cyclobutyl-1,3-oxazole-5-carboxylicacid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC(C1)C2=C(OC=N2)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)7-6(9-4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKey
WIINODYNNSOUAL-UHFFFAOYSA-N
Compound name
4-cyclobutyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.2
[M+Na]+ 190.04746 138.2
[M+NH4]+ 185.09206 135.5
[M+K]+ 206.02140 138.3
[M-H]- 166.05096 131.4
[M+Na-2H]- 188.03291 134.4
[M]+ 167.05769 131.4
[M]- 167.05879 131.4
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.