CID 137698771

5-cyclobutyl-1,3-oxazole

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC(C1)C2=CN=CO2
InChI
InChI=1S/C7H9NO/c1-2-6(3-1)7-4-8-5-9-7/h4-6H,1-3H2
InChIKey
YEDYAHQYSOJSPV-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

123.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 118.7
[M+Na]+ 146.05763 126.4
[M+NH4]+ 141.10223 124.1
[M+K]+ 162.03157 124.7
[M-H]- 122.06113 119.9
[M+Na-2H]- 144.04308 123.6
[M]+ 123.06786 118.9
[M]- 123.06896 118.9
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