CID 586570

5-ethyl-2-isopropyl-4-methyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCC1=C(N=C(O1)C(C)C)C
InChI
InChI=1S/C9H15NO/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
InChIKey
IEYWMNYHQSDLRX-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-2-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

153.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 132.9
[M+Na]+ 176.10459 142.0
[M-H]- 152.10809 136.4
[M+NH4]+ 171.14919 153.9
[M+K]+ 192.07853 142.2
[M+H-H2O]+ 136.11263 127.4
[M+HCOO]- 198.11357 155.2
[M+CH3COO]- 212.12922 179.2
[M+Na-2H]- 174.09004 137.1
[M]+ 153.11482 136.2
[M]- 153.11592 136.2
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