CID 66692646

5-pentyloxazole

Structural Information

Molecular Formula
C8H13NO
SMILES
CCCCCC1=CN=CO1
InChI
InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
InChIKey
RZCKQDLMEGXPFA-UHFFFAOYSA-N
Compound name
5-pentyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

139.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.8
[M+Na]+ 162.088938 136.6
[M-H]- 138.092444 131.4
[M+NH4]+ 157.133543 149.7
[M+K]+ 178.062878 136.7
[M+H-H2O]+ 122.096980 122.7
[M+HCOO]- 184.097921 152.4
[M+CH3COO]- 198.113571 173.1
[M+Na-2H]- 160.074386 136.1
[M]+ 139.09917142 131.6
[M]- 139.10026858 131.6
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