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

50
Patents

125.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.1
[M+Na]+ 148.073278 132.3
[M-H]- 124.076784 126.9
[M+NH4]+ 143.117883 145.5
[M+K]+ 164.047218 132.7
[M+H-H2O]+ 108.081320 118.2
[M+HCOO]- 170.082261 148.0
[M+CH3COO]- 184.097911 170.0
[M+Na-2H]- 146.058726 131.9
[M]+ 125.08351142 126.5
[M]- 125.08460858 126.5
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