CID 525783

4-butyl-2-methyloxazole

Structural Information

Molecular Formula
C8H13NO
SMILES
CCCCC1=COC(=N1)C
InChI
InChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3
InChIKey
WLQJVRMHBOMLBM-UHFFFAOYSA-N
Compound name
4-butyl-2-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

139.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.7
[M+Na]+ 162.08894 140.9
[M+NH4]+ 157.13354 137.3
[M+K]+ 178.06288 136.6
[M-H]- 138.09244 131.2
[M+Na-2H]- 160.07439 134.2
[M]+ 139.09917 131.1
[M]- 139.10027 131.1
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