CID 105433311

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

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC(C1)C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)6-4-9-12-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKey
GIWOUAPBYZJDHV-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 127.6
[M+Na]+ 190.047458 133.6
[M-H]- 166.050964 132.4
[M+NH4]+ 185.092063 139.8
[M+K]+ 206.021398 136.6
[M+H-H2O]+ 150.055500 116.6
[M+HCOO]- 212.056441 147.6
[M+CH3COO]- 226.072091 177.3
[M+Na-2H]- 188.032906 132.3
[M]+ 167.05769142 136.1
[M]- 167.05878858 136.1
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

No patent data available for this compound.