CID 580707

2-butyl-4-ethyl-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C10H17NO
SMILES
CCCCC1=NC(=C(O1)C)CC
InChI
InChI=1S/C10H17NO/c1-4-6-7-10-11-9(5-2)8(3)12-10/h4-7H2,1-3H3
InChIKey
PGYVZKVDXNIABS-UHFFFAOYSA-N
Compound name
2-butyl-4-ethyl-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 137.4
[M+Na]+ 190.12023 149.6
[M+NH4]+ 185.16483 145.7
[M+K]+ 206.09417 145.0
[M-H]- 166.12373 139.9
[M+Na-2H]- 188.10568 142.2
[M]+ 167.13046 139.8
[M]- 167.13156 139.8
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.