CID 86025817

4-ethyl-2-hexyl-5-methyloxazole

Structural Information

Molecular Formula
C12H21NO
SMILES
CCCCCCC1=NC(=C(O1)C)CC
InChI
InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-11(5-2)10(3)14-12/h4-9H2,1-3H3
InChIKey
NIFNHMMYQSGDQZ-UHFFFAOYSA-N
Compound name
4-ethyl-2-hexyl-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 146.8
[M+Na]+ 218.15153 154.8
[M-H]- 194.15503 149.5
[M+NH4]+ 213.19613 166.1
[M+K]+ 234.12547 153.7
[M+H-H2O]+ 178.15957 140.5
[M+HCOO]- 240.16051 169.1
[M+CH3COO]- 254.17616 187.4
[M+Na-2H]- 216.13698 150.5
[M]+ 195.16176 151.8
[M]- 195.16286 151.8
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

No patent data available for this compound.