CID 83845394

29068-25-5

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]+ 140.070596 118.3
[M+Na]+ 162.052538 124.8
[M-H]- 138.056044 124.2
[M+NH4]+ 157.097143 132.5
[M+K]+ 178.026478 128.1
[M+H-H2O]+ 122.060580 107.8
[M+HCOO]- 184.061521 139.6
[M+CH3COO]- 198.077171 174.4
[M+Na-2H]- 160.037986 124.5
[M]+ 139.06277142 126.2
[M]- 139.06386858 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.