CID 17979794

4-butyloxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CCCCC1=COC=N1
InChI
InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
InChIKey
NREHHAUYDCWOQF-UHFFFAOYSA-N
Compound name
4-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

125.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.6
[M+Na]+ 148.07328 136.6
[M+NH4]+ 143.11788 133.3
[M+K]+ 164.04722 132.3
[M-H]- 124.07678 127.1
[M+Na-2H]- 146.05873 130.6
[M]+ 125.08351 126.9
[M]- 125.08461 126.9
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