CID 580388

2-butyl-5-ethyl-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C10H17NO
SMILES
CCCCC1=NC(=C(O1)CC)C
InChI
InChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKey
WNOQXIPJLNOPEB-UHFFFAOYSA-N
Compound name
2-butyl-5-ethyl-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 137.3
[M+Na]+ 190.12023 146.2
[M-H]- 166.12373 140.4
[M+NH4]+ 185.16483 157.8
[M+K]+ 206.09417 145.7
[M+H-H2O]+ 150.12827 131.5
[M+HCOO]- 212.12921 160.3
[M+CH3COO]- 226.14486 181.3
[M+Na-2H]- 188.10568 142.2
[M]+ 167.13046 141.6
[M]- 167.13156 141.6
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

No patent data available for this compound.