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

5
Patents

153.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.9
[M+Na]+ 176.104588 142.0
[M-H]- 152.108094 136.4
[M+NH4]+ 171.149193 153.9
[M+K]+ 192.078528 142.2
[M+H-H2O]+ 136.112630 127.4
[M+HCOO]- 198.113571 155.2
[M+CH3COO]- 212.129221 179.2
[M+Na-2H]- 174.090036 137.1
[M]+ 153.11482142 136.2
[M]- 153.11591858 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