CID 528403

2-ethyl-5-methyloxazole

Structural Information

Molecular Formula
C6H9NO
SMILES
CCC1=NC=C(O1)C
InChI
InChI=1S/C6H9NO/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3
InChIKey
ADIDFXCLFPHHLE-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

111.06841 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 118.8
[M+Na]+ 134.05763 128.5
[M-H]- 110.06113 122.2
[M+NH4]+ 129.10223 141.2
[M+K]+ 150.03157 129.0
[M+H-H2O]+ 94.065670 113.5
[M+HCOO]- 156.06661 143.1
[M+CH3COO]- 170.08226 168.1
[M+Na-2H]- 132.04308 126.6
[M]+ 111.06786 121.3
[M]- 111.06896 121.3
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