CID 84652576

4-cyclobutyl-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC(C1)C2=CON=C2C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)7-6(4-12-9-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKey
WRYXIUJFBZYDRL-UHFFFAOYSA-N
Compound name
4-cyclobutyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 127.6
[M+Na]+ 190.04746 133.6
[M-H]- 166.05096 132.4
[M+NH4]+ 185.09206 139.8
[M+K]+ 206.02140 136.6
[M+H-H2O]+ 150.05550 116.6
[M+HCOO]- 212.05644 147.6
[M+CH3COO]- 226.07209 177.3
[M+Na-2H]- 188.03291 132.3
[M]+ 167.05769 136.1
[M]- 167.05879 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

patents stripe