CID 82597267

1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC(C1)(C2=NC=CO2)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-7(11)8(2-1-3-8)6-9-4-5-12-6/h4-5H,1-3H2,(H,10,11)
InChIKey
IMEYRLBZGVGHAW-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 128.8
[M+Na]+ 190.04746 134.9
[M-H]- 166.05096 133.7
[M+NH4]+ 185.09206 142.8
[M+K]+ 206.02140 138.0
[M+H-H2O]+ 150.05550 118.9
[M+HCOO]- 212.05644 148.9
[M+CH3COO]- 226.07209 175.8
[M+Na-2H]- 188.03291 135.2
[M]+ 167.05769 137.3
[M]- 167.05879 137.3
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.