CID 573845

4-hexyl-2,5-dimethyloxazole

Structural Information

Molecular Formula
C11H19NO
SMILES
CCCCCCC1=C(OC(=N1)C)C
InChI
InChI=1S/C11H19NO/c1-4-5-6-7-8-11-9(2)13-10(3)12-11/h4-8H2,1-3H3
InChIKey
HMYAUWMKFPILNN-UHFFFAOYSA-N
Compound name
4-hexyl-2,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 142.0
[M+Na]+ 204.135888 150.5
[M-H]- 180.139394 145.0
[M+NH4]+ 199.180493 162.0
[M+K]+ 220.109828 149.7
[M+H-H2O]+ 164.143930 136.0
[M+HCOO]- 226.144871 164.7
[M+CH3COO]- 240.160521 184.3
[M+Na-2H]- 202.121336 146.4
[M]+ 181.14612142 146.7
[M]- 181.14721858 146.7
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