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

11
Patents

139.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.3
[M+Na]+ 162.088938 137.1
[M-H]- 138.092444 131.4
[M+NH4]+ 157.133543 149.6
[M+K]+ 178.062878 137.2
[M+H-H2O]+ 122.096980 122.6
[M+HCOO]- 184.097921 152.0
[M+CH3COO]- 198.113571 174.1
[M+Na-2H]- 160.074386 135.0
[M]+ 139.09917142 131.5
[M]- 139.10026858 131.5
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