CID 121694

4-ethyl-2,5-dimethyloxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC1=C(OC(=N1)C)C
InChI
InChI=1S/C7H11NO/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3
InChIKey
YZZBROGKUWYQOL-UHFFFAOYSA-N
Compound name
4-ethyl-2,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

84
Patents

125.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 122.9
[M+Na]+ 148.07328 133.2
[M-H]- 124.07678 126.6
[M+NH4]+ 143.11788 145.2
[M+K]+ 164.04722 133.4
[M+H-H2O]+ 108.08132 117.8
[M+HCOO]- 170.08226 146.9
[M+CH3COO]- 184.09791 172.2
[M+Na-2H]- 146.05873 129.5
[M]+ 125.08351 126.2
[M]- 125.08461 126.2
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