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

15
Patents

123.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 114.6
[M+Na]+ 146.057628 121.3
[M-H]- 122.061134 120.6
[M+NH4]+ 141.102233 129.6
[M+K]+ 162.031568 124.6
[M+H-H2O]+ 106.065670 104.1
[M+HCOO]- 168.066611 137.1
[M+CH3COO]- 182.082261 171.9
[M+Na-2H]- 144.043076 122.6
[M]+ 123.06786142 123.0
[M]- 123.06895858 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