CID 18000835

5-butyl-1,3-oxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CCCCC1=CN=CO1
InChI
InChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3
InChIKey
HVDQDMRCRULNJN-UHFFFAOYSA-N
Compound name
5-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
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

literature stripe

Patent stripe

patents stripe