CID 525774

2,4-dimethyl-5-propyloxazole

Structural Information

Molecular Formula
C8H13NO
SMILES
CCCC1=C(N=C(O1)C)C
InChI
InChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
InChIKey
PSGAPKDEFJWSNU-UHFFFAOYSA-N
Compound name
2,4-dimethyl-5-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

139.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.7
[M+Na]+ 162.088938 137.5
[M-H]- 138.092444 131.2
[M+NH4]+ 157.133543 149.4
[M+K]+ 178.062878 137.5
[M+H-H2O]+ 122.096980 122.3
[M+HCOO]- 184.097921 151.4
[M+CH3COO]- 198.113571 175.3
[M+Na-2H]- 160.074386 133.8
[M]+ 139.09917142 131.3
[M]- 139.10026858 131.3
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