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 114.6
[M+Na]+ 146.05763 121.3
[M-H]- 122.06113 120.6
[M+NH4]+ 141.10223 129.6
[M+K]+ 162.03157 124.6
[M+H-H2O]+ 106.06567 104.1
[M+HCOO]- 168.06661 137.1
[M+CH3COO]- 182.08226 171.9
[M+Na-2H]- 144.04308 122.6
[M]+ 123.06786 123.0
[M]- 123.06896 123.0
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