CID 104620

4,5-dimethyl-2-propyloxazole

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

139.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.3
[M+Na]+ 162.08894 140.9
[M+NH4]+ 157.13354 136.9
[M+K]+ 178.06288 136.8
[M-H]- 138.09244 130.9
[M+Na-2H]- 160.07439 133.6
[M]+ 139.09917 130.8
[M]- 139.10027 130.8
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