CID 54122457

4-propyl-1,3-oxazole

Structural Information

Molecular Formula
C6H9NO
SMILES
CCCC1=COC=N1
InChI
InChI=1S/C6H9NO/c1-2-3-6-4-8-5-7-6/h4-5H,2-3H2,1H3
InChIKey
KXNBJIMFMYZHQS-UHFFFAOYSA-N
Compound name
4-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

111.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.0
[M+Na]+ 134.05763 132.3
[M+NH4]+ 129.10223 128.9
[M+K]+ 150.03157 128.2
[M-H]- 110.06113 122.5
[M+Na-2H]- 132.04308 126.3
[M]+ 111.06786 122.4
[M]- 111.06896 122.4
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