CID 17858186

2-pentyloxazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
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

literature stripe

Patent stripe

patents stripe