CID 529033

5-ethyl-2-methyl-4-propyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCC1=C(OC(=N1)C)CC
InChI
InChI=1S/C9H15NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3
InChIKey
UXLXRNTXKGMQEG-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-4-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

153.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.5
[M+Na]+ 176.104588 141.9
[M-H]- 152.108094 135.8
[M+NH4]+ 171.149193 153.6
[M+K]+ 192.078528 141.6
[M+H-H2O]+ 136.112630 126.9
[M+HCOO]- 198.113571 155.8
[M+CH3COO]- 212.129221 178.3
[M+Na-2H]- 174.090036 138.0
[M]+ 153.11482142 136.5
[M]- 153.11591858 136.5
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