CID 525781

2-hexyl-4,5-dimethyloxazole

Structural Information

Molecular Formula
C11H19NO
SMILES
CCCCCCC1=NC(=C(O1)C)C
InChI
InChI=1S/C11H19NO/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
InChIKey
KNPWGHJHGHEJLW-UHFFFAOYSA-N
Compound name
2-hexyl-4,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe