CID 525785

4-ethyl-2-methyloxazole

Structural Information

Molecular Formula
C6H9NO
SMILES
CCC1=COC(=N1)C
InChI
InChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3
InChIKey
FLRAVPRRUDBVKJ-UHFFFAOYSA-N
Compound name
4-ethyl-2-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
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

No literature data available for this compound.

Patent stripe

patents stripe