CID 83845394

3-cyclobutyl-4,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC(C1)C2=NOC(=O)C2
InChI
InChI=1S/C7H9NO2/c9-7-4-6(8-10-7)5-2-1-3-5/h5H,1-4H2
InChIKey
UVLQWPCIMPEGOB-UHFFFAOYSA-N
Compound name
3-cyclobutyl-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 118.3
[M+Na]+ 162.05254 124.8
[M-H]- 138.05604 124.2
[M+NH4]+ 157.09714 132.5
[M+K]+ 178.02648 128.1
[M+H-H2O]+ 122.06058 107.8
[M+HCOO]- 184.06152 139.6
[M+CH3COO]- 198.07717 174.4
[M+Na-2H]- 160.03799 124.5
[M]+ 139.06277 126.2
[M]- 139.06387 126.2
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.