CID 214134

Oxazole, 4-methyl-5-propyl-

Structural Information

Molecular Formula
C7H11NO
SMILES
CCCC1=C(N=CO1)C
InChI
InChI=1S/C7H11NO/c1-3-4-7-6(2)8-5-9-7/h5H,3-4H2,1-2H3
InChIKey
OEDUIZIHFYJRDQ-UHFFFAOYSA-N
Compound name
4-methyl-5-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.1
[M+Na]+ 148.07328 136.6
[M+NH4]+ 143.11788 132.9
[M+K]+ 164.04722 132.5
[M-H]- 124.07678 126.7
[M+Na-2H]- 146.05873 129.9
[M]+ 125.08351 126.6
[M]- 125.08461 126.6
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