CID 78826

2-ethyl-4,5-dihydro-4,4-dimethyloxazole

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC1=NC(CO1)(C)C
InChI
InChI=1S/C7H13NO/c1-4-6-8-7(2,3)5-9-6/h4-5H2,1-3H3
InChIKey
FGURMUFTHTVTAL-UHFFFAOYSA-N
Compound name
2-ethyl-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 123.6
[M+Na]+ 150.088938 132.7
[M-H]- 126.092444 126.9
[M+NH4]+ 145.133543 147.3
[M+K]+ 166.062878 133.4
[M+H-H2O]+ 110.096980 118.9
[M+HCOO]- 172.097921 146.2
[M+CH3COO]- 186.113571 171.0
[M+Na-2H]- 148.074386 131.1
[M]+ 127.09917142 125.3
[M]- 127.10026858 125.3
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